SCHEMBL2620474

SCHEMBL2620474

COC(=O)[C@@H](N)CNC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GAA P10253 3/20 0.50
HPGD P15428 1/20 0.49
KMT2A Q03164 3/20 0.49
PRSS1 P07477 3/20 0.48
F10 P00742 1/20 0.48
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
ITGAV P06756 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KIF11 P52732 1/20 0.46
CTSG P08311 2/20 0.45
CTRB1 P17538 2/20 0.45
CMA1 P23946 2/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL20121319 1.00 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AGAAHPGD
Hydrochloric Acid SCHEMBL6500931 0.98 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGAAHPGD
Hydrochloric Acid SCHEMBL3867992 0.98 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGAAHPGD
SCHEMBL24324149 0.83 NPC1 (0.59) SMN1; SMN2NPC1RAB9AGAA
SCHEMBL1769064 0.83 NPC1 (0.59) SMN1; SMN2NPC1RAB9AGAA
SCHEMBL1769068 0.83 NPC1 (0.59) SMN1; SMN2NPC1RAB9AGAA
SCHEMBL24530327 0.83 KMT2A (0.50) SMN1; SMN2NPC1RAB9AGAAHPGD
SCHEMBL8231488 0.81 NPC1 (0.57) SMN1; SMN2NPC1RAB9AGAAKMT2A
SCHEMBL27734524 0.81 NPC1 (0.57) SMN1; SMN2NPC1RAB9AGAAKMT2A
SCHEMBL6380434 0.81 NPC1 (0.53) SMN1; SMN2NPC1RAB9AGAAHPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566872-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
US-8741884-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-03 US disclosed
US-20120093767-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
CN-1274670-C Diaminopropionic acid derivatives HOFFMANN LA ROCHE (CH) 2006-09-13 CN disclosed
US-20050080119-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2005-04-14 US disclosed
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 US disclosed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 US disclosed
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 US disclosed
CN-1323291-A Diaminopropionic acid derivatives HOFFMANN LA ROCHE (CH) 2001-11-21 CN disclosed
EP-1121342-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-08 EP disclosed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 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 (5 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-20120093767-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS SMN1; SMN2 2944/4885NPC1 30/4885RAB9A 1928/4885
US-20040006236-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A SMN1; SMN2 1708/4885NPC1 2397/4885RAB9A 2103/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A SMN1; SMN2 1708/4885NPC1 2397/4885RAB9A 2103/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 SMN1; SMN2 2102/4885NPC1 2646/4885RAB9A 2133/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 SMN1; SMN2 2102/4885NPC1 2646/4885RAB9A 2133/4885

“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.