SCHEMBL1481371

SCHEMBL1481371

CCOc1ccc(-c2ccc(OC)c(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)OC)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.43
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
DPP4 P27487 1/20 0.38
ERN1 O75460 1/20 0.37
CHRNA7 P36544 1/20 0.36
TP53 P04637 1/20 0.36
CNR1 P21554 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL1481372 1.00 NLRP3 (0.43) NLRP3MAPTPOLBDPP4ERN1
SCHEMBL1481519 0.93 PTPN11 (0.40) MAPTDPP4ERN1
SCHEMBL1481522 0.93 PTPN11 (0.40) MAPTDPP4ERN1
SCHEMBL1481281 0.91 NLRP3 (0.45) NLRP3MAPTPOLBERN1DRD2
SCHEMBL1481285 0.91 NLRP3 (0.45) NLRP3MAPTPOLBERN1DRD2
SCHEMBL1480168 0.91 NPC1 (0.41) NLRP3MAPTPOLBCNR1
SCHEMBL1480170 0.91 NPC1 (0.41) NLRP3MAPTPOLBCNR1
SCHEMBL1480807 0.90 DRD2 (0.46) NLRP3MAPTPOLBCHRNA7TP53
SCHEMBL1480805 0.90 DRD2 (0.46) NLRP3MAPTPOLBCHRNA7TP53
SCHEMBL12808122 0.87 PTPN11 (0.41) NLRP3MAPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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 (4 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ NLRP3 1828/4885MAPT 3558/4885POLB 4328/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE NLRP3 1196/4885MAPT 3251/4885POLB 4497/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE NLRP3 1196/4885MAPT 3251/4885POLB 4497/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ NLRP3 1828/4885MAPT 3558/4885POLB 4328/4885

“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.