SCHEMBL7087955

SCHEMBL7087955

CN(C)c1ccc(C(=O)C(=O)c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.48
RAB9A P51151 1/20 0.48
KDM1A O60341 4/20 0.43
PTGS1 P23219 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP28 Q96RU2 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39

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
SCHEMBL7089297 0.82 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7087953 0.80 PTGS2 (0.46) PTGS2RAB9AKDM1APTGS1USP28
SCHEMBL7084272 0.80 CES2 (0.50) PTGS2
SCHEMBL7091362 0.80 PTGS2 (0.45) PTGS2
SCHEMBL7083942 0.78 PTGS2 (0.46) PTGS2
SCHEMBL7493557 0.78 PTGS2 (0.49) PTGS2
SCHEMBL7087485 0.78 PTGS2 (0.47) PTGS2
SCHEMBL7085233 0.77 PTGS2 (0.59) PTGS2RAB9APTGS1MEN1KMT2A
SCHEMBL3806469 0.76 HNF4A (0.53) MEN1KMT2A
SCHEMBL8488036 0.76 PTGS2 (0.70) PTGS2KDM1APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 PTGS2 122/4885RAB9A 3539/4885KDM1A 2638/4885

“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.