SCHEMBL3838565

SCHEMBL3838565

CCCn1cnc(C=C(CCCNC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
CA1 P00915 8/20 0.37
CA2 P00918 8/20 0.37
CA12 O43570 4/20 0.37
CA9 Q16790 4/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CPB2 Q96IY4 6/20 0.36
CPB1 P15086 2/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3838561 1.00 SIGMAR1 (0.38) SIGMAR1CA1CA2CA12CA9
SCHEMBL14631186 0.80 SIGMAR1 (0.40) SIGMAR1CA1CA2CA12CA9
SCHEMBL14631535 0.80 SIGMAR1 (0.40) SIGMAR1CA1CA2CA12CA9
SCHEMBL14631187 0.80 SIGMAR1 (0.40) SIGMAR1CA1CA2CA12CA9
SCHEMBL19158590 0.79 CPB2 (0.40) SIGMAR1CA1CA2MEN1GAA
SCHEMBL14631226 0.78 CPB2 (0.38) SIGMAR1CA1CA2MEN1GAA
SCHEMBL14630714 0.78 CPB2 (0.39) SIGMAR1MEN1GAAKMT2ACPB2
SCHEMBL20893299 0.78 CPB2 (0.39) SIGMAR1MEN1GAAKMT2ACPB2
SCHEMBL14631230 0.78 CPB2 (0.38) SIGMAR1CA1CA2MEN1GAA
SCHEMBL14630708 0.78 CPB2 (0.39) SIGMAR1MEN1GAAKMT2ACPB2

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
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed
US-6949577-B2 Pharmaceuticals PFIZER, INC. (US) 2005-09-27 US disclosed
US-20030236420-A1 Pharmaceuticals ALLERTON CHARLOTTE MOIRA NORFO (GB) 2003-12-25 US disclosed
US-20020147229-A1 Pharmaceuticals PFIZER INC. 2002-10-10 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 (2 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-20020147229-A1 Pharmaceuticals BDKRB1, TFPI, BDKRB2 SIGMAR1 2243/4885CA1 4605/4885CA2 4181/4885
US-20030236420-A1 Pharmaceuticals BDKRB1, TFPI, SERPINE1 SIGMAR1 1855/4885CA1 4583/4885CA2 4178/4885

“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.