SCHEMBL5347353

SCHEMBL5347353

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.58
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 4/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CPB2 Q96IY4 1/20 0.45
LMNA P02545 2/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 1/20 0.43
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
ANPEP P15144 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5362293 0.87 ALDH1A1 (0.53) CACNA1BALDH1A1KMT2ANPC1RAB9A
SCHEMBL5352315 0.82 CACNA1B (0.62) CACNA1BALDH1A1KMT2ANPC1RAB9A
SCHEMBL5755030 0.81 ALDH1A1 (0.49) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5756654 0.80 ALDH1A1 (0.61) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5348316 0.80 CTSS (0.49) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5353995 0.80 ALDH1A1 (0.48) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5349928 0.80 ALDH1A1 (0.48) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5344954 0.80 HTT (0.55) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5347346 0.80 CACNA1B (0.77) CACNA1BALDH1A1KMT2ANPC1RAB9A
SCHEMBL5353545 0.80 ALDH1A1 (0.54) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2

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 CACNA1B 1/4885ALDH1A1 3065/4885KMT2A 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.