SCHEMBL1480640

SCHEMBL1480640

COC(=O)CCCOc1ccc(-c2cccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3CC(=O)OC)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CYSLTR2 Q9NS75 4/20 0.38
CYSLTR1 Q9Y271 4/20 0.38
CNR1 P21554 3/20 0.37
AVPR1B P47901 1/20 0.37
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNA3 P22001 1/20 0.35
EGFR P00533 1/20 0.34
PTGS2 P35354 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL1481641 1.00 MAPT (0.39) MAPTCYSLTR2CYSLTR1CNR1AVPR1B
SCHEMBL1481985 0.95 FFAR4 (0.40) MAPTCYSLTR2CYSLTR1CNR1AVPR1B
SCHEMBL1480947 0.95 FFAR4 (0.40) MAPTCYSLTR2CYSLTR1CNR1AVPR1B
SCHEMBL1481302 0.94 MAPT (0.39) MAPTCYSLTR2CYSLTR1CNR1AVPR1B
SCHEMBL1481305 0.94 MAPT (0.39) MAPTCYSLTR2CYSLTR1CNR1AVPR1B
SCHEMBL1480512 0.89 CYSLTR2 (0.42) MAPTCYSLTR2CYSLTR1CNR1AVPR1B
SCHEMBL1480516 0.89 CYSLTR2 (0.42) MAPTCYSLTR2CYSLTR1CNR1AVPR1B
SCHEMBL12735982 0.88 CYSLTR2 (0.42) CYSLTR2CYSLTR1FFAR1FFAR4
SCHEMBL1481219 0.87 MAPT (0.42) MAPTCNR1PDE3BPDE3AP2RY12
SCHEMBL1481218 0.87 MAPT (0.42) MAPTCNR1PDE3BPDE3AP2RY12

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 8 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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 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
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 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 (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 MAPT 3558/4885CYSLTR2 2986/4885CYSLTR1 2945/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE MAPT 3251/4885CYSLTR2 2870/4885CYSLTR1 2736/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MAPT 3251/4885CYSLTR2 2870/4885CYSLTR1 2736/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ MAPT 3558/4885CYSLTR2 2986/4885CYSLTR1 2945/4885

“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.