SCHEMBL5554699

SCHEMBL5554699

Cc1c([C@H](C)C(=O)O)c2c(F)c(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
POLB P06746 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5550614 1.00 PTGS2 (0.41) PTGS2POLBCNR1CNR2AKR1C3
SCHEMBL5553556 1.00 PTGS2 (0.41) PTGS2POLBCNR1CNR2AKR1C3
SCHEMBL5559391 0.91 POLB (0.36) PTGS2POLBCNR1CNR2AKR1C3
SCHEMBL5559387 0.91 POLB (0.36) PTGS2POLBCNR1CNR2AKR1C3
SCHEMBL6428539 0.90 POLB (0.36) PTGS2POLBCNR1CNR2AKR1C3
SCHEMBL5547108 0.90 AKR1C3 (0.40) PTGS2AKR1C3AKR1C2NOTUMALDH1A1
SCHEMBL5557670 0.90 AKR1C3 (0.40) PTGS2AKR1C3AKR1C2NOTUMALDH1A1
SCHEMBL5554693 0.90 AKR1C3 (0.40) PTGS2AKR1C3AKR1C2NOTUMALDH1A1
SCHEMBL5560445 0.89 POLB (0.37) PTGS2POLBCNR1CNR2ALDH1A1
SCHEMBL5560440 0.89 POLB (0.37) PTGS2POLBCNR1CNR2ALDH1A1

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
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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US 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 (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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 PTGS2 3/4885POLB 2692/4885CNR1 18/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885POLB 1611/4885CNR1 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.