Sugi Predict

Sugi Predict / Compounds / SCHEMBL9968998

SCHEMBL9968998

SCHEMBL9968998

CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.73
▸ CYP3A5 P20815 6/20 0.73
▸ CYP3A7 P24462 6/20 0.73
▸ CYP3A43 Q9HB55 6/20 0.73
▸ KCNH2 Q12809 4/20 0.73
▸ ABCC4 O15439 1/20 0.73
▸ ABCB11 O95342 1/20 0.73
▸ PTGS1 P23219 1/20 0.73
▸ SLCO1B3 Q9NPD5 1/20 0.73
▸ SLCO1B1 Q9Y6L6 1/20 0.73
▸ GNRHR P30968 4/20 0.39
▸ CYP2E1 P05181 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ PDE4A P27815 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15998080 0.94 CYP3A4 (0.76) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
SCHEMBL784787 0.94 CYP3A4 (0.76) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
SCHEMBL14300442 0.92 CYP3A4 (0.72) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
SCHEMBL12966803 0.92 CYP3A4 (0.71) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
SCHEMBL23801894 0.92 CYP3A4 (0.70) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
SCHEMBL14568291 0.92 CYP3A4 (0.70) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
SCHEMBL13885882 0.92 CYP3A4 (0.70) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
SCHEMBL12966918 0.92 CYP3A4 (0.70) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
SCHEMBL19062630 0.91 CYP3A4 (0.68) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
SCHEMBL19937490 0.90 CYP3A4 (0.69) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 — — US disclosed
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 — — US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 — — US disclosed
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 — — US disclosed
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 — — US disclosed
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 — — US disclosed
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 — — US disclosed
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2016-02-04 — — US disclosed
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2016-02-04 — — US disclosed
US-9085600-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-07-21 — — US disclosed
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2014-04-03 — — US disclosed
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2014-04-03 — — US disclosed
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 — — US disclosed
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 — — US disclosed
US-20130065845-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2013-03-14 — — US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 — — US disclosed
US-8278281-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 — — US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 — — US disclosed
US-20070072811-A1 Bifunctional heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. 2007-03-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070072811-A1 Bifunctional heterocyclic compounds and methods of making and using the same PCNA, DCX, HPGDS CYP3A4 1537/4885CYP3A5 816/4885CYP3A7 1430/4885
US-20100016956-A1 Triazole compounds and methods of making and using the same IL33, PROKR1, PGC CYP3A4 171/4885CYP3A5 103/4885CYP3A7 78/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 CYP3A4 392/4885CYP3A5 501/4885CYP3A7 403/4885
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 CYP3A4 84/4885CYP3A5 83/4885CYP3A7 62/4885
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP CYP3A4 177/4885CYP3A5 57/4885CYP3A7 66/4885
US-20130065845-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP CYP3A4 177/4885CYP3A5 57/4885CYP3A7 66/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 CYP3A4 392/4885CYP3A5 501/4885CYP3A7 403/4885
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP CYP3A4 177/4885CYP3A5 57/4885CYP3A7 66/4885
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP CYP3A4 177/4885CYP3A5 57/4885CYP3A7 66/4885
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same PROKR1, ARG1, ARG2 CYP3A4 84/4885CYP3A5 83/4885CYP3A7 62/4885
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 CYP3A4 84/4885CYP3A5 83/4885CYP3A7 62/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.