SCHEMBL3546509

SCHEMBL3546509

COc1ccc2c(OS(=O)(=O)C(F)(F)F)nccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK7 Q13164 1/20 0.40
SCN9A Q15858 3/20 0.39
SCN5A Q14524 1/20 0.39
DYRK1A Q13627 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PLAU P00749 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NFE2L2 Q16236 2/20 0.37
LMNA P02545 1/20 0.37
RIOK2 Q9BVS4 1/20 0.37
DYRK3 O43781 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNB2 O95067 1/20 0.36

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
SCHEMBL25267484 0.83 CYP3A4 (0.53) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6389633 0.78 TRPA1 (0.62) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8499219 0.78 L3MBTL1 (0.50) CYP1A2KDM4EPLAULMNASMN1; SMN2
SCHEMBL6638222 0.77 TRPA1 (0.43) TRPA1CYP3A4CYP2C19KDM4EPLAU
SCHEMBL29937434 0.77 TRPA1 (0.43) TRPA1CYP3A4CYP2C19KDM4EPLAU
SCHEMBL3551410 0.76 HTR1A (0.46) DYRK1ALMNADYRK3CDK1CDK2
SCHEMBL20139104 0.76 BCHE (0.56) CYP1A2CYP3A4CYP2D6DYRK1AKDM4E
SCHEMBL1180547 0.76 MTNR1A (0.44) CYP1A2CYP2D6LMNAACHESMN1; SMN2
SCHEMBL1179389 0.75 L3MBTL1 (0.51) CYP1A2KDM4EPLAULMNASMN1; SMN2
SCHEMBL31219765 0.75 KDM4E (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
EP-1907381-A4 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2009-08-26 EP disclosed
EP-1907381-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-09 EP disclosed
WO-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 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-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG TRPA1 3320/4885CYP1A2 178/4885CYP3A4 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.