SCHEMBL5559387

SCHEMBL5559387

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
PARP1 P09874 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGS2 P35354 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PLA2G2A P14555 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL5559391 1.00 POLB (0.36) POLBPARP1CNR1CNR2ALDH1A1
SCHEMBL5553556 0.91 PTGS2 (0.41) POLBCNR1CNR2ALDH1A1L3MBTL1
SCHEMBL5550614 0.91 PTGS2 (0.41) POLBCNR1CNR2ALDH1A1L3MBTL1
SCHEMBL5554699 0.91 PTGS2 (0.41) POLBCNR1CNR2ALDH1A1L3MBTL1
SCHEMBL5553770 0.90 PIK3CD (0.38) PARP1ALDH1A1CA12CA1CA2
SCHEMBL5553766 0.90 PIK3CD (0.38) PARP1ALDH1A1CA12CA1CA2
SCHEMBL5560440 0.88 POLB (0.37) POLBCNR1CNR2ALDH1A1L3MBTL1
SCHEMBL5560445 0.88 POLB (0.37) POLBCNR1CNR2ALDH1A1L3MBTL1
SCHEMBL5553756 0.88 ALDH1A1 (0.36) POLBPARP1CNR1CNR2ALDH1A1
SCHEMBL5553759 0.88 ALDH1A1 (0.36) POLBPARP1CNR1CNR2ALDH1A1

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 POLB 2692/4885PARP1 1228/4885CNR1 18/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 POLB 1611/4885PARP1 874/4885CNR1 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.