SCHEMBL10079097

SCHEMBL10079097

NS(=O)(=O)c1ccc(=O)n(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.49
PTGS1 P23219 4/20 0.49
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA9 Q16790 2/20 0.42
CA7 P43166 1/20 0.40
LIPE Q05469 2/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
NOD1 Q9Y239 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL10079836 0.90 PTGS2 (0.54) PTGS2PTGS1CA2CA12CA1
SCHEMBL10059465 0.83 HTR2A (0.44) PTGS2SLC6A4SLC6A3LIPESMN1; SMN2
SCHEMBL1137645 0.78 PTGS2 (0.65) PTGS2PTGS1SLC6A4SLC6A3CA2
SCHEMBL10059511 0.78 POLB (0.42) LIPEATM
SCHEMBL16479476 0.78 TRPV1 (0.43) PTGS2ATM
SCHEMBL9496011 0.77 PTGS2 (0.63) PTGS2PTGS1SLC6A4SLC6A3CA2
Ammonia Solution, Strong SCHEMBL29087279 0.77 PTGS2 (0.63) PTGS2PTGS1SLC6A4SLC6A3CA2
SCHEMBL30596352 0.77 PTGS2 (0.63) PTGS2PTGS1SLC6A4SLC6A3CA2
Hydrochloric Acid SCHEMBL29087408 0.77 PTGS2 (0.63) PTGS2PTGS1SLC6A4SLC6A3CA2
SCHEMBL1423477 0.77 TRPV1 (0.41) PTGS2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
EP-2296653-B1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE INC (US) 2016-01-27 EP disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 US disclosed
WO-2010135470-A1 PIFENIDONE DERIVATIVES FOR TREATING BRONCHIAL ASTHMA INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2010132864-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS INTERMUNE, INC. (US) 2010-11-18 WO disclosed
WO-2009149188-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-10 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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 PTGS2 117/4885PTGS1 76/4885SLC6A4 4623/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 PTGS2 292/4885PTGS1 185/4885SLC6A4 3540/4885

“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.