Sugi Predict

Sugi Predict / Compounds / SCHEMBL12272012

SCHEMBL12272012

SCHEMBL12272012

COC(=O)c1cnc(C(C)C)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ NCOA1 Q15788 2/20 0.39
▸ NCOA3 Q9Y6Q9 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CRBN Q96SW2 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CCNE1 P24864 1/20 0.36

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
SCHEMBL21919603 0.86 FFAR2 (0.43) FFAR2HRH3HCAR2LMNANPSR1
SCHEMBL3647161 0.86 FFAR2 (0.43) FFAR2HRH3HCAR2LMNANPSR1
Hydrochloric Acid SCHEMBL2405929 0.85 FFAR2 (0.42) FFAR2HRH3HCAR2LMNANPSR1
SCHEMBL21442970 0.85 FFAR2 (0.42) FFAR2HRH3HCAR2LMNANPSR1
SCHEMBL22672606 0.84 ALDH1A1 (0.35) FFAR2HRH3HCAR2ALDH1A1MAPK1
SCHEMBL31464199 0.84 FFAR2 (0.41) FFAR2HRH3HCAR2LMNANPSR1
SCHEMBL19555810 0.84 FFAR2 (0.41) FFAR2HRH3HCAR2LMNANPSR1
SCHEMBL1421575 0.83 HCAR2 (0.57) FFAR2HCAR2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2141254 0.81 CDC7 (0.55) LMNAALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL27809784 0.81 HCAR2 (0.39) HCAR2ALDH1A1MAPK1SMN1; SMN2MAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 — — US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 — — US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
CN-106632134-A 2-(4-thiazolinone-2-imino)thiazole-5-carboxylate and preparation method and application thereof 湖南大学 2017-05-10 — — CN disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 — — US disclosed
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 — — US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 — — US disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 — — US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 — — US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — 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 (9 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 FFAR2 1107/4885HRH3 3552/4885HCAR2 979/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 FFAR2 1107/4885HRH3 3552/4885HCAR2 979/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR FFAR2 3017/4885HRH3 4538/4885HCAR2 3101/4885
US-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT FFAR2 4179/4885HRH3 2291/4885HCAR2 1740/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 FFAR2 1107/4885HRH3 3552/4885HCAR2 979/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 FFAR2 1107/4885HRH3 3552/4885HCAR2 979/4885
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 FFAR2 1622/4885HRH3 36/4885HCAR2 24/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E FFAR2 4150/4885HRH3 2283/4885HCAR2 4570/4885
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 FFAR2 1622/4885HRH3 36/4885HCAR2 24/4885

“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.