SCHEMBL3812969

SCHEMBL3812969

Cc1ccc(C(=O)c2ccc(CC(=O)Cl)n2C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.76
CXCL8 P10145 1/20 0.76
AKR1B1 P15121 1/20 0.76
PTGS1 P23219 1/20 0.76
GLO1 Q04760 1/20 0.76
HPGD P15428 1/20 0.72
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
SRD5A2 P31213 2/20 0.40
ABCB11 O95342 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 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
Tolmetin SCHEMBL3150 0.86 PTGS2 (1.00) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL12608965 0.86 PTGS2 (0.78) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL11325188 0.86 PTGS2 (1.00) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL9724249 0.85 PTGS2 (0.76) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL29461 0.85 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL5980424 0.85 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL11486460 0.85 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL28562007 0.85 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL13653108 0.84 PTGS2 (0.74) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL1477674 0.84 HPGD (1.00) PTGS2CXCL8AKR1B1PTGS1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US disclosed
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 US disclosed
EP-2990402-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF ARYL- AND HETEROARYLACETIC ACIDS WITH VERY FAST SKIN PENETRATION RATE Techfields Biochem Co. Ltd (CN) 2016-03-02 EP disclosed
EP-2049482-B1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF ARYL- AND HETEROARYLACETIC ACIDS WITH VERY FAST SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO LTD (CN) 2015-10-21 EP disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US disclosed
EP-2049482-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF ARYL- AND HETEROARYLACETIC ACIDS WITH VERY FAST SKIN PENETRATION RATE Techfields Biochem Co. Ltd (CN) 2009-04-22 EP disclosed
WO-2008017903-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF ARYL- AND HETEROARYLACETIC ACIDS WITH VERY FAST SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO. LTD (CN) 2008-02-14 WO disclosed
EP-0115424-B1 PYRROLE-2-ACETYLAMINO ACID DERIVATIVES McNeilab, Inc. (US) 1987-11-04 EP disclosed
EP-0115424-A1 Pyrrole-2-acetylamino acid derivatives McNeilab, Inc. (US) 1984-08-08 EP 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 (4 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-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885CXCL8 187/4885AKR1B1 688/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885CXCL8 187/4885AKR1B1 688/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885CXCL8 187/4885AKR1B1 688/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885CXCL8 187/4885AKR1B1 688/4885

“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.