SCHEMBL5362293

SCHEMBL5362293

COc1ccc(CNC(=S)[C@@H](CCC2CCCCC2)NC(=O)CC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
REN P00797 1/20 0.50
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
CPB2 Q96IY4 1/20 0.47
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
MEN1 O00255 3/20 0.44
MAPT P10636 1/20 0.44
ANPEP P15144 1/20 0.43
CACNA1B Q00975 1/20 0.42
EPHX2 P34913 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5347353 0.87 CACNA1B (0.58) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5756654 0.84 ALDH1A1 (0.61) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL5350078 0.83 ALDH1A1 (0.60) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5755030 0.83 ALDH1A1 (0.49) ALDH1A1RENKMT2ASMN1; SMN2NPC1
SCHEMBL5348316 0.82 CTSS (0.49) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL5353995 0.82 ALDH1A1 (0.48) ALDH1A1RENKMT2ASMN1; SMN2NPC1
SCHEMBL5349928 0.82 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5344954 0.81 HTT (0.55) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5348668 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5353545 0.81 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
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-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US 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 (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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A ALDH1A1 3065/4885REN 303/4885KMT2A 1929/4885

“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.