SCHEMBL6423889

SCHEMBL6423889

C=CCC(C(=O)O)c1c(C)n(C(=O)c2ccccc2)c2cc(Cl)c(OC)cc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.52
PTGS1 P23219 2/20 0.52
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
PLA2G2A P14555 2/20 0.39
PPARG P37231 1/20 0.38
ABCB1 P08183 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6425856 0.94 PTGS1 (0.61) PTGS2PTGS1NPSR1LMNACYP1A2
SCHEMBL6426741 0.92 PTGS2 (0.52) PTGS2PTGS1NPSR1LMNACYP1A2
SCHEMBL6426557 0.88 PTGS2 (0.56) PTGS2PTGS1NPSR1LMNACYP1A2
SCHEMBL6423697 0.87 PTGS2 (0.54) PTGS2PTGS1NPSR1LMNACYP1A2
SCHEMBL6424085 0.84 PTGS2 (0.50) PTGS2PTGS1NPSR1LMNACYP1A2
SCHEMBL6423527 0.84 PTGS2 (0.57) PTGS2PTGS1NPSR1LMNACYP1A2
SCHEMBL6423626 0.82 AKR1C3 (0.43) PTGS2PTGS1PPARGABCB1
SCHEMBL6425916 0.82 PTGS2 (0.61) PTGS2PTGS1NPSR1PPARGABCB1
SCHEMBL6426921 0.82 NPSR1 (0.38) PTGS2PTGS1NPSR1LMNACYP1A2
SCHEMBL6425733 0.82 PTGS2 (0.56) PTGS2PTGS1NPSR1LMNACYP1A2

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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885NPSR1 677/4885

“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.