SCHEMBL4841915

SCHEMBL4841915

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.59
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 4/20 0.37
ACKR3 P25106 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
TACR1 P25103 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GHSR Q92847 1/20 0.36
BCL2 P10415 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
SCHEMBL5361323 0.93 CACNA1B (0.61) CACNA1BHRH3TACR1ALDH1A1BCL2
SCHEMBL5355876 0.93 CACNA1B (0.51) CACNA1BMEN1KMT2AMCL1ACKR3
SCHEMBL5361820 0.92 CACNA1B (0.51) CACNA1BATMHSD17B10MCL1HDAC8
SCHEMBL5345730 0.92 CACNA1B (0.49) CACNA1BATMMEN1KMT2AALDH1A1
SCHEMBL5345749 0.92 CACNA1B (0.49) CACNA1BATMMEN1KMT2AALDH1A1
SCHEMBL5350467 0.92 CACNA1B (0.49) CACNA1BATMMEN1KMT2AALDH1A1
SCHEMBL5349400 0.92 CACNA1B (0.49) CACNA1BATMMEN1KMT2AALDH1A1
SCHEMBL4843256 0.91 CACNA1B (0.57) CACNA1BKMT2AHRH3TACR1ALDH1A1
SCHEMBL5348579 0.91 CACNA1B (0.52) CACNA1BATMHSD17B10MEN1KMT2A
SCHEMBL5112745 0.90 CACNA1B (0.47) CACNA1BATMHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US claimed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US disclosed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP 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 (2 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-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1B, CACNA1A CACNA1B 2/4885ATM 2523/4885HSD17B10 4740/4885
US-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CACNA1B 1/4885ATM 3517/4885HSD17B10 1544/4885

“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.