SCHEMBL5347406

SCHEMBL5347406

COc1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NCc2cccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
CACNA1B Q00975 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CPB2 Q96IY4 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR88 Q9GZN0 1/20 0.42
TP53 P04637 1/20 0.42
CTSK P43235 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
SCHEMBL5351855 0.90 CACNA1B (0.57) NPC1RAB9APOLBCACNA1BTSHR
SCHEMBL5344947 0.86 CACNA1B (0.55) NPC1RAB9APOLBCACNA1BSMN1; SMN2
SCHEMBL5356175 0.80 CACNA1B (0.58) NPC1RAB9APOLBCACNA1BSMN1; SMN2
SCHEMBL5352497 0.80 CACNA1B (0.58) NPC1RAB9APOLBCACNA1BSMN1; SMN2
SCHEMBL5348996 0.80 CACNA1B (0.58) NPC1RAB9APOLBCACNA1BSMN1; SMN2
SCHEMBL5398993 0.79 CACNA1B (0.47) NPC1RAB9ACACNA1BSMN1; SMN2CPB2
SCHEMBL5351877 0.79 CACNA1B (0.57) NPC1RAB9APOLBCACNA1BSMN1; SMN2
SCHEMBL14591621 0.79 CACNA1B (0.47) NPC1RAB9ACACNA1BSMN1; SMN2CPB2
SCHEMBL5347412 0.78 NPC1 (0.47) NPC1RAB9APOLBSMN1; SMN2TSHR
SCHEMBL5362287 0.78 CACNA1B (0.58) NPC1RAB9ACACNA1BSMN1; SMN2CPB2

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 9 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
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 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-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 NPC1 534/4885RAB9A 2425/4885POLB 3446/4885

“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.