SCHEMBL3640480

SCHEMBL3640480

C[S+]([O-])c1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.50
RXRB P28702 4/20 0.50
BCL2L1 Q07817 1/20 0.50
BAD Q92934 1/20 0.50
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.47
RXRG P48443 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RARB P10826 2/20 0.44
SRD5A2 P31213 1/20 0.43

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
SCHEMBL3644304 0.94 TSHR (0.55) CA1CA2CA12CA9CA14
SCHEMBL18716548 0.84 NPC1 (0.64) TSHRSMN1; SMN2RARB
SCHEMBL17907429 0.80
SCHEMBL3218425 0.79 TSHR (0.46) RXRARXRBTSHRALDH1A1SMN1; SMN2
SCHEMBL17907433 0.79 ALDH1A1 (0.48) ALDH1A1SRD5A2
SCHEMBL8190024 0.78 CPT1B (0.50)
Terephthalic Acid SCHEMBL9577834 0.78 TSHR (0.80) RXRARXRBBCL2L1BADCA1
SCHEMBL69873 0.78 TSHR (0.80) RXRARXRBBCL2L1BADCA1
SCHEMBL14018385 0.78 TSHR (0.80) RXRARXRBBCL2L1BADCA1
SCHEMBL2637326 0.78 TSHR (0.80) RXRARXRBBCL2L1BADCA1

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
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 RXRA 378/4885RXRB 394/4885BCL2L1 3789/4885

“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.