SCHEMBL5558646

SCHEMBL5558646

Cc1c([C@@H](C)C(=O)O)c2cc(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
SRC P12931 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL5558651 1.00 PTGS2 (0.43) PTGS2SRCALDH1A1L3MBTL1POLB
SCHEMBL5547116 1.00 PTGS2 (0.43) PTGS2SRCALDH1A1L3MBTL1POLB
SCHEMBL6422823 0.91 PTGS2 (0.37) PTGS2SRCALDH1A1L3MBTL1POLB
SCHEMBL5560512 0.91 ALDH1A1 (0.37) PTGS2SRCALDH1A1L3MBTL1POLB
SCHEMBL5560516 0.91 ALDH1A1 (0.37) PTGS2SRCALDH1A1L3MBTL1POLB
SCHEMBL5554442 0.89 SRC (0.40) PTGS2SRCALDH1A1KMT2AAKR1C3
SCHEMBL5550631 0.89 SRC (0.40) PTGS2SRCALDH1A1KMT2AAKR1C3
SCHEMBL5554437 0.89 SRC (0.40) PTGS2SRCALDH1A1KMT2AAKR1C3
SCHEMBL2003460 0.89 SRC (0.50) PTGS2SRC
SCHEMBL5561760 0.89 POLB (0.38) PTGS2SRCALDH1A1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 PTGS2 3/4885SRC 3883/4885ALDH1A1 278/4885

“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.