Sugi Predict

Sugi Predict / Compounds / SCHEMBL2465503

SCHEMBL2465503

SCHEMBL2465503

O=C(Nc1ccc(CO)cc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.63
▸ KMT2A Q03164 2/20 0.53
▸ FABP7 O15540 2/20 0.43
▸ FABP5 Q01469 2/20 0.43
▸ CASP3 P42574 2/20 0.42
▸ ITGB3 P05106 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ PTGIR P43119 1/20 0.40

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
SCHEMBL30567065 0.90 EPHX2 (0.60) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL2465375 0.88 EPHX2 (0.62) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL15160758 0.88 EPHX2 (0.62) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL23212115 0.88 EPHX2 (0.65) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL31607197 0.88 EPHX2 (0.65) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL19698846 0.88 KMT2A (0.50) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL30971403 0.88 KMT2A (0.50) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL8366872 0.87 EPHX2 (0.75) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL29679600 0.87 EPHX2 (0.60) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL1001375 0.87 EPHX2 (0.60) EPHX2KMT2AFABP7FABP5CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031046-A1 Bioanalytical Reagent used in Heterogeneous Phase and Usage Method Thereof DAI LIJUN (CN) 2015-01-29 — — US claimed
CN-102985825-A Heterogeneous biological analysis reagent and use method thereof DAI LIJUN 2013-03-20 — — CN claimed
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 — — US disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 — — WO disclosed
CN-106117310-B Small molecule conjugates for intracellular delivery of biologically active compounds 弗·哈夫曼-拉罗切有限公司 2021-04-06 — — CN disclosed
WO-2019117812-A1 NEAR INFRA-RED MOLECULAR PROBES FOR USE IN DIAGNOSIS OF FIBROTIC CONDITIONS AND SCREENING OF ANTI-FIBROTIC DRUGS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-06-20 — — WO disclosed
US-9968647-B2 Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN-LA ROCHE INC. (US) 2018-05-15 — — US disclosed
EP-3147367-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F. Hoffmann-La Roche AG (CH) 2017-03-29 — — EP disclosed
US-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-01-26 — — US disclosed
CN-106117310-A Small molecule conjugates for Intracellular delivery bioactive compound 弗·哈夫曼-拉罗切有限公司 2016-11-16 — — CN disclosed
EP-2658981-B1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS HOFFMANN LA ROCHE (CH) 2016-09-28 — — EP disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 — — US disclosed
EP-1881830-B1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY ORGANON NV (NL) 2008-10-08 — — EP disclosed
CN-101212973-A 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV (NL) 2008-07-02 — — CN disclosed
EP-1881830-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY N.V. Organon (NL) 2008-01-30 — — EP disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 — — US disclosed
WO-2006117368-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY N.V. ORGANON (NL) 2006-11-09 — — WO disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 — — US disclosed
US-20030187027-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-02 — — US disclosed
WO-2002089782-A2 DIOXANES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2002-11-14 — — WO 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 (5 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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 EPHX2 1187/4885KMT2A 310/4885FABP7 2825/4885
US-20030187027-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 EPHX2 1183/4885KMT2A 178/4885FABP7 4775/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 EPHX2 1101/4885KMT2A 178/4885FABP7 4794/4885
US-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS SNRPE, PHAX, SNRPA EPHX2 4216/4885KMT2A 3058/4885FABP7 1036/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 EPHX2 755/4885KMT2A 152/4885FABP7 4828/4885

“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.