SCHEMBL6424003

SCHEMBL6424003

Cc1c([C@](C)(C(=O)O)C2CCC2)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MGLL Q99685 2/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 1/20 0.34
GRM5 P41594 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL6423355 0.98 PTGS2 (0.43) PTGS1PTGS2CNR1CNR2ALDH1A1
SCHEMBL6423271 0.90 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL6425520 0.90 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL6426672 0.89 AKR1C3 (0.42) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL6424391 0.88 PTGS2 (0.44) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL6423296 0.88 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL6426835 0.88 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL6427493 0.87 AKR1C3 (0.42) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL6423432 0.86 HSD11B1 (0.37) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL6426838 0.86 PTGS1 (0.42) PTGS1PTGS2MEN1KMT2AMGLL

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 PTGS1 7/4885PTGS2 4/4885CNR1 55/4885

“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.