SCHEMBL1481201

SCHEMBL1481201

O=C(O)CCC#Cc1ccc(C=Cc2nc(-c3ccc(Cl)cc3Cl)c[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 6/20 0.35
FFAR1 O14842 5/20 0.35
ALPG P10696 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MARS1 P56192 1/20 0.33
HPSE Q9Y251 1/20 0.32
DHODH Q02127 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
CRHBP P24387 1/20 0.31
RAB9A P51151 1/20 0.31
CRHR2 Q13324 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL1481198 1.00 ALPL (0.35) ALPLFFAR1ALPGSMN1; SMN2TP53
SCHEMBL1481018 0.85 PPARA (0.42) FFAR1RAB9AFFAR4
SCHEMBL1481014 0.85 PPARA (0.42) FFAR1RAB9AFFAR4
SCHEMBL12829140 0.83 FFAR1 (0.48) ALPLFFAR1ALPGSMN1; SMN2KDM4E
SCHEMBL1480705 0.81 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL1480701 0.81 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL1480791 0.79 MAPT (0.40) ALPLALPGSMN1; SMN2KDM4ENPC1
SCHEMBL1480794 0.79 MAPT (0.40) ALPLALPGSMN1; SMN2KDM4ENPC1
SCHEMBL6530448 0.79 ITGB2 (0.48) ALPL
SCHEMBL1481308 0.77 RELA (0.41) SMN1; SMN2KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO 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 (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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ ALPL 304/4885FFAR1 1810/4885ALPG 263/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ ALPL 304/4885FFAR1 1810/4885ALPG 263/4885

“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.