SCHEMBL6423634

SCHEMBL6423634

Cc1c(CC(=O)NCCC(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.57
PTGS1 P23219 5/20 0.57
AKR1C3 P42330 5/20 0.55
AKR1C2 P52895 5/20 0.55
TRPV1 Q8NER1 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HRH4 Q9H3N8 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL5800605 0.93 PTGS2 (0.52) PTGS2PTGS1AKR1C3AKR1C2TRPV1
SCHEMBL5559639 0.92 AKR1C3 (0.54) PTGS2PTGS1AKR1C3AKR1C2TRPV1
SCHEMBL5554455 0.91 PTGS2 (0.58) PTGS2PTGS1AKR1C3AKR1C2TRPV1
SCHEMBL5800701 0.91 AKR1C3 (0.56) PTGS2PTGS1AKR1C3AKR1C2TRPV1
SCHEMBL6424062 0.91 PTGS2 (0.64) PTGS2PTGS1AKR1C3AKR1C2TRPV1
SCHEMBL5553880 0.89 PTGS2 (0.61) PTGS2PTGS1AKR1C3AKR1C2TRPV1
SCHEMBL5798156 0.89 PTGS2 (0.64) PTGS2PTGS1TRPV1HRH4HDAC3
SCHEMBL5560102 0.89 PTGS2 (0.55) PTGS2PTGS1AKR1C3AKR1C2TRPV1
SCHEMBL5560180 0.88 AKR1C3 (0.49) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5554196 0.88 PTGS2 (0.62) PTGS2PTGS1AKR1C3AKR1C2TRPV1

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 2 patents. 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
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 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 (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 3/4885PTGS1 6/4885AKR1C3 585/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885AKR1C3 577/4885

“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.