SCHEMBL5554437

SCHEMBL5554437

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
PTGS2 P35354 2/20 0.38
PIK3CD O00329 1/20 0.37
PLA2G7 Q13093 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ELANE P08246 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL5554442 1.00 SRC (0.40) SRCAKR1C3AKR1C2PTGS2PIK3CD
SCHEMBL5550631 1.00 SRC (0.40) SRCAKR1C3AKR1C2PTGS2PIK3CD
SCHEMBL2003460 0.91 SRC (0.50) SRCPTGS2LMNACYP2D6
SCHEMBL6423760 0.91 AKR1C3 (0.39) SRCAKR1C3AKR1C2PIK3CDPLA2G7
SCHEMBL5559594 0.90 PIK3CD (0.39) SRCAKR1C3AKR1C2PIK3CDPLA2G7
SCHEMBL5559591 0.90 PIK3CD (0.39) SRCAKR1C3AKR1C2PIK3CDPLA2G7
SCHEMBL5547116 0.89 PTGS2 (0.43) SRCAKR1C3AKR1C2PTGS2ELANE
SCHEMBL5558646 0.89 PTGS2 (0.43) SRCAKR1C3AKR1C2PTGS2ELANE
SCHEMBL5558651 0.89 PTGS2 (0.43) SRCAKR1C3AKR1C2PTGS2ELANE
SCHEMBL5559894 0.89 AKR1C3 (0.37) SRCAKR1C3AKR1C2PIK3CDPLA2G7

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 SRC 3883/4885AKR1C3 585/4885AKR1C2 342/4885

“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.