SCHEMBL29318130

SCHEMBL29318130

COc1ccc(-c2cncc(OCc3ccc(C)cc3)c2)cc1C1CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
LTC4S Q16873 1/20 0.40
CA12 O43570 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5AP P20292 4/20 0.38
XDH P47989 2/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
APP P05067 2/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
PTGER1 P34995 1/20 0.37

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
SCHEMBL25882690 0.93 APP (0.45) PTGS2CA1CA2CA9CA12
SCHEMBL29318412 0.90 PTGS2 (0.44) PTGS2LTC4SALOX5APXDHCYP4F2
SCHEMBL29318127 0.89 POLB (0.37) PTGS2POLBHPGDSMN1; SMN2XDH
SCHEMBL30405492 0.89 FFAR4 (0.49) PTGS2ALOX5APCYP4F2CYP4A11FFAR1
SCHEMBL23441533 0.89 FFAR4 (0.49) PTGS2ALOX5APCYP4F2CYP4A11FFAR1
SCHEMBL23441531 0.89 FFAR4 (0.49) PTGS2ALOX5APCYP4F2CYP4A11FFAR1
SCHEMBL29318411 0.86 LTC4S (0.43) PTGS2LTC4SCYP4F2CYP4A11FFAR1
SCHEMBL29318409 0.84 GABRG2 (0.39) CA1CA2CA9LTC4SCA12
SCHEMBL29318398 0.84 CYP4F2 (0.41) CA1CA2CA9LTC4SCA12
SCHEMBL29321934 0.84 FFAR4 (0.44) PTGS2FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 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 (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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME ENPP2, SSB, PLPBP PTGS2 1787/4885CA1 1438/4885CA2 293/4885

“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.