SCHEMBL4759503

SCHEMBL4759503

Cn1nc(C(=O)O)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.50
MGLL Q99685 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RY14 Q15391 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ENPP2 Q13822 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL14019190 0.95 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APOLBMGLL
SCHEMBL27415197 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9APOLBMGLL
SCHEMBL8111687 0.86 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APOLBMGLL
SCHEMBL14019178 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APOLBMGLL
SCHEMBL14019185 0.80 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9APOLBTP53
SCHEMBL14019177 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9APOLBMGLL
SCHEMBL21597598 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9APOLBMGLL
SCHEMBL30617073 0.78 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9APOLBMGLL
SCHEMBL14108669 0.78 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9APOLBMGLL
SCHEMBL4759799 0.78 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APOLBMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 US disclosed
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-06-29 US disclosed
EP-1469856-A4 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RES & DEV (US) 2005-06-22 EP disclosed
EP-1469856-A2 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS King Pharmaceuticals Research and Development Inc. (US) 2004-10-27 EP disclosed
US-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-11-06 US disclosed
WO-2003063800-A2 8-HETEROARYL XANTHINE ADENOSINE A2B RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-08-07 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 (3 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-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 3347/4885NPC1 1536/4885RAB9A 1357/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 SMN1; SMN2 4377/4885NPC1 185/4885RAB9A 2032/4885
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 2803/4885NPC1 2712/4885RAB9A 1859/4885

“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.