SCHEMBL7749751

SCHEMBL7749751

COC(=O)[C@H](CCSC)NC(=O)CN

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.57
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
HTT P42858 1/20 0.48
CASP1 P29466 1/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7749748 1.00 CYP2C9 (0.57) CYP2C9ALDH1A1TSHRL3MBTL1TAS1R3
Hydrochloric Acid SCHEMBL8368672 0.98 CYP2C9 (0.56) CYP2C9ALDH1A1TSHRL3MBTL1TAS1R3
Hydrochloric Acid SCHEMBL8368674 0.98 CYP2C9 (0.56) CYP2C9ALDH1A1TSHRL3MBTL1TAS1R3
Trifluoroacetic Acid SCHEMBL8763902 0.90 CYP2C9 (0.49) CYP2C9ALDH1A1TSHRL3MBTL1TAS1R3
SCHEMBL28046500 0.87 CYP2C9 (0.57) CYP2C9ALDH1A1TSHRL3MBTL1TAS1R3
SCHEMBL28046501 0.87 CYP2C9 (0.57) CYP2C9ALDH1A1TSHRL3MBTL1TAS1R3
SCHEMBL25724298 0.85 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRL3MBTL1TAS1R3
SCHEMBL11940463 0.85 CYP2C9 (0.58) CYP2C9ALDH1A1TSHRL3MBTL1TAS1R3
SCHEMBL6501861 0.83 CYP2C9 (0.51) CYP2C9ALDH1A1TSHRL3MBTL1TAS1R3
SCHEMBL1158063 0.83 LMNA (0.51) ALDH1A1USP2CA1CA2

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
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 EP claimed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP claimed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO claimed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO claimed
US-20170267632-A1 METHIONINE ANALOGS AND METHODS OF USING SAME BIOXINESS PHARMACEUTICALS INC (US) 2017-09-21 US disclosed
US-20170267632-A1 METHIONINE ANALOGS AND METHODS OF USING SAME BIOXINESS PHARMACEUTICALS INC (US) 2017-09-21 US disclosed
US-9695119-B2 Methionine analogs and methods of using same BIOXINESS PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695119-B2 Methionine analogs and methods of using same BIOXINESS PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20170029369-A1 METHIONINE ANALOGS AND METHODS OF USING SAME BIOXINESS PHARMACEUTICALS, INC. (US) 2017-02-02 US disclosed
US-20170029369-A1 METHIONINE ANALOGS AND METHODS OF USING SAME BIOXINESS PHARMACEUTICALS, INC. (US) 2017-02-02 US disclosed
US-20150329481-A1 METHIONINE ANALOGS AND METHODS OF USING SAME BIOXINESS PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
WO-2010014943-A2 METHIONINE ANALOGS AND METHODS OF USING SAME BIOXINESS PHARMACEUTICS, INC. (US) 2010-02-04 WO disclosed
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 EP disclosed
EP-0783305-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1998-04-01 EP disclosed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO disclosed
EP-0783518-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP disclosed
EP-0783305-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP disclosed
EP-0783517-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 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 (3 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-20170267632-A1 METHIONINE ANALOGS AND METHODS OF USING SAME MTR, METAP1, AMD1 CYP2C9 2604/4885ALDH1A1 1940/4885TSHR 2801/4885
US-20150329481-A1 METHIONINE ANALOGS AND METHODS OF USING SAME MTR, METAP1, AMD1 CYP2C9 2604/4885ALDH1A1 1940/4885TSHR 2801/4885
US-20170029369-A1 METHIONINE ANALOGS AND METHODS OF USING SAME MTR, METAP1, AMD1 CYP2C9 2604/4885ALDH1A1 1940/4885TSHR 2801/4885

“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.