SCHEMBL14345166

SCHEMBL14345166

Oc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.86
PTGS1 P23219 7/20 0.86
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
TSHR P16473 1/20 0.70
CYP2C19 P33261 1/20 0.70
THPO P40225 1/20 0.70
BLM P54132 1/20 0.70
PMP22 Q01453 1/20 0.70
HIF1A Q16665 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
PDPK1 O15530 2/20 0.67
PRKCZ Q05513 1/20 0.56
NR3C2 P08235 1/20 0.54

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
SCHEMBL6247556 1.00 PTGS2 (0.86) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7113078 0.93 PTGS2 (1.00) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL8292452 0.86 PTGS2 (0.86) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5694394 0.86 PTGS2 (0.86) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL4588503 0.86 PTGS2 (0.86) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL14533183 0.86 PTGS2 (0.70) PTGS2PTGS1CYP3A4CYP2C9TSHR
SCHEMBL27602802 0.86 PTGS2 (0.86) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5148765 0.83 PTGS2 (0.76) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5858663 0.83 PTGS2 (0.76) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
Sc-560 SCHEMBL676921 0.83 PTGS2 (1.00) PTGS2PTGS1CYP1A2CYP3A4CYP2C9

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
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 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 (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-20070293542-A1 Selective Cox-2 Inhibitors PTGS2, FAAH2, PTGES2 PTGS2 1/4885PTGS1 7/4885CYP1A2 45/4885
US-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 PTGS2 1780/4885PTGS1 1105/4885CYP1A2 6/4885

“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.