SCHEMBL6288946

SCHEMBL6288946

Cn1nc(OCCCC(=O)O)c(-c2ccc3c(c2)OCO3)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
GABRE P78334 1/20 0.51
GABRA6 Q16445 1/20 0.51
GABRG1 Q8N1C3 1/20 0.51
GABRG3 Q99928 1/20 0.51
GABRQ Q9UN88 1/20 0.51
LTB4R Q15722 7/20 0.46
RIPK2 O43353 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 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
SCHEMBL7848497 0.95 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6288875 0.87 KMT2A (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6289234 0.87 RIPK2 (0.44) RIPK2USP2MAPTKMT2ATP53
SCHEMBL6289641 0.79 KMT2A (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6289177 0.79 ADORA2A (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6293084 0.79 KMT2A (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6292681 0.74 MAPT (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6289705 0.73 CYP19A1 (0.49) RIPK2TP53HPGDKDM4EHSD17B10
SCHEMBL2926027 0.70 TSHR (0.71) LTB4RMAPTKMT2AKDM4E
SCHEMBL6289893 0.67 ALDH1A1 (0.50) MAPTKMT2ATP53HPGDKDM4E

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-6962923-B2 Pyrazole compositions PFIZER INC. (US) 2005-11-08 US disclosed
US-20030232848-A1 Pyrazole compositions PFIZER INC. 2003-12-18 US disclosed
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US disclosed
EP-1072597-A1 Pyrazoles and their use as endothelin antagonists Pfizer Limited (GB) 2001-01-31 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-20030232848-A1 Pyrazole compositions EDNRB, EDNRA, AGTR1 GABRP 486/4885GABRD 1299/4885GABRA1 700/4885

“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.