SCHEMBL5891920

SCHEMBL5891920

CC[C@H](C)C(COC(Cc1ccccc1)C(=O)N[C@H](CCSC)C(=O)O)NCC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 7/20 0.52
▸ FNTB P49356 7/20 0.52
▸ PGGT1B P53609 4/20 0.44
▸ EGFR P00533 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ TACR2 P21452 1/20 0.44
▸ MC5R P33032 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ MC3R P41968 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ REN P00797 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
SCHEMBL5891507 0.95 EGFR (0.46) FNTAFNTBPGGT1BEGFRFYN
SCHEMBL5891954 0.91 FNTB (0.65) FNTAFNTBPGGT1BEGFRFYN
SCHEMBL9555013 0.90 REN (0.45) FNTAFNTBPGGT1BRENBACE1
SCHEMBL8073153 0.85 EGFR (0.47) FNTAFNTBPGGT1BEGFRFYN
SCHEMBL9555032 0.84 REN (0.45) RENBACE1
SCHEMBL8366056 0.80 REN (0.48) FNTAFNTBEGFRFYNCHRM2
SCHEMBL8079882 0.80 FNTA (0.39) FNTAFNTBEGFRFYNCHRM2
SCHEMBL5891423 0.80 FNTA (0.39) FNTAFNTBEGFRFYNCHRM2
SCHEMBL5891631 0.79 EGFR (0.67) FNTAFNTBPGGT1BEGFRFYN
SCHEMBL9555357 0.78 REN (0.52) FNTAFNTBPGGT1BRENBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989383-B1 Method of treating cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-01-24 — — US disclosed
US-20050137207-A1 Method of treating cancer ROSEN NEAL (US) 2005-06-23 — — US disclosed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 — — EP disclosed
EP-0666844-B1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-08-23 — — EP disclosed
EP-0986302-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-03-22 — — EP disclosed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 — — EP disclosed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 — — WO disclosed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 — — WO disclosed
EP-0666844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1995-08-16 — — EP disclosed
WO-1994010138-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1994-05-11 — — 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 (1 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-20050137207-A1 Method of treating cancer FNTA, GGT1, NTPCR FNTA 1/4885FNTB 12/4885PGGT1B 258/4885

“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.

Send feedback