SCHEMBL5650368

SCHEMBL5650368

CCC(=O)C(Oc1cc(C#N)cc(C#N)c1)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.38
BRAF P15056 1/20 0.34
MGLL Q99685 3/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NLRP3 Q96P20 1/20 0.32
SETD7 Q8WTS6 1/20 0.32

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
SCHEMBL14841645 0.91 RAB9A (0.36) GPR35MGLLRAB9AKCNH2MMP2
SCHEMBL4108959 0.85 MGLL (0.45) MGLLRAB9APOLBKMT2AMMP2
SCHEMBL14881197 0.85 MGLL (0.37) GPR35MGLLRAB9AKMT2AKCNH2
SCHEMBL509995 0.78 MGLL (0.46) MGLLMCHR1SMN1; SMN2
SCHEMBL508483 0.77 L3MBTL1 (0.36) POLBKMT2ASMN1; SMN2
SCHEMBL15262747 0.72 PPARG (0.43) SMN1; SMN2
SCHEMBL15262418 0.72 MAPT (0.40) KMT2ASMN1; SMN2
SCHEMBL15633184 0.71 GPR35 (0.45) GPR35BRAFKMT2AKCNH2
SCHEMBL509178 0.71 MGLL (0.34) MGLLRAB9A
SCHEMBL27561768 0.71 PPARA (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230025-B2 Pyrazole derivatives PFIZER, INC. (US) 2007-06-12 US disclosed
US-7230025-B2 Pyrazole derivatives PFIZER, INC. (US) 2007-06-12 US disclosed
US-7230025-B2 Pyrazole derivatives PFIZER, INC. (US) 2007-06-12 US disclosed
EP-1546132-A1 PYRAZOLE DERIVATIVES AS REVERSE TRANSCRIPTASE INHIBITORS Pfizer Limited (GB) 2005-06-29 EP disclosed
US-20040110816-A1 Pyrazole derivatives PFIZER, INC. 2004-06-10 US disclosed
WO-2004029042-A1 PYRAZOLE DERIVATIVES AS REVERSE TRANSCRIPTASE INHIBITORS PFIZER LIMITED (GB) 2004-04-08 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 (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-20040110816-A1 Pyrazole derivatives REV1, POLR2E, SARS1 GPR35 2685/4885BRAF 2201/4885MGLL 4492/4885

“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.