SCHEMBL2299600

SCHEMBL2299600

CS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.48
RAB9A P51151 10/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
PPARG P37231 2/20 0.42
NR1I2 O75469 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
RORC P51449 1/20 0.39

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
SCHEMBL2292856 0.93 ADORA3 (0.43) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2295674 0.90 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2296039 0.89 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2294968 0.89 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2296016 0.88 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2294143 0.88 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2298233 0.87 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2292563 0.87 RAB9A (0.50) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL5300596 0.87 HPGD (0.50) SMN1; SMN2LMNANR1I2KMT2AMEN1
SCHEMBL2296419 0.87 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US claimed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed

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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 NPC1 2770/4885RAB9A 1893/4885SMN1; SMN2 2159/4885

“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.