SCHEMBL7100385

SCHEMBL7100385

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ELANE P08246 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PTGER4 P35408 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
GRM5 P41594 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALKBH1 Q13686 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MAP2K1 Q02750 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL7108857 0.93 POLB (0.46) POLBELANERXFP1PDE3BPDE3A
SCHEMBL6163869 0.92 POLB (0.45) POLBELANERXFP1PDE3BPDE3A
SCHEMBL7108911 0.92 POLB (0.42) POLBELANERXFP1KLKB1KLK1
SCHEMBL6161408 0.92 CHRM2 (0.42) POLBELANERXFP1KLKB1KLK1
SCHEMBL7105719 0.91 POLB (0.47) POLBELANERXFP1PDE3BPDE3A
SCHEMBL7106871 0.91 BRD4 (0.44) POLBELANERXFP1KLKB1KLK1
SCHEMBL7107098 0.90 PDK1 (0.42) POLBELANERXFP1KLKB1KLK1
SCHEMBL6163960 0.89 KLKB1 (0.48) ELANEKLKB1KLK1CHRM3KDM4E
SCHEMBL6163207 0.89 TSHR (0.46) POLBELANERXFP1PDE3BPDE3A
SCHEMBL6166162 0.89 RAB9A (0.44) POLBRXFP1KLKB1KLK1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI POLB 3482/4885ELANE 130/4885RXFP1 1251/4885

“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.