SCHEMBL757054

SCHEMBL757054

C=CCC(CCCC)SC(CC=C)CCCC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 2/20 0.32

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
SCHEMBL8946847 0.91 TSHR (0.43) TSHRALDH1A1DNM1
SCHEMBL5165999 0.86 TSHR (0.39) TSHRALDH1A1SMN1; SMN2DNM1
SCHEMBL6836259 0.83 TSHR (0.36) TSHRALDH1A1SMN1; SMN2DNM1
SCHEMBL7075066 0.81 TSHR (0.34) TSHRALDH1A1DNM1
SCHEMBL7075028 0.79 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL7075538 0.78 TSHR (0.32) TSHRALDH1A1DNM1
SCHEMBL7077244 0.78 TSHR (0.32) TSHRALDH1A1
SCHEMBL11049161 0.78 TSHR (0.32) TSHRALDH1A1SMN1; SMN2
SCHEMBL7040570 0.78 TSHR (0.32) TSHRALDH1A1DNM1
SCHEMBL10772156 0.77 DNM1 (0.43) TSHRALDH1A1SMN1; SMN2DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 EP disclosed
US-8030308-B2 Bicyclic sulfonamide derivatives which are L-CPT 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-10-04 US disclosed
US-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2011-02-24 US disclosed
US-7879845-B2 Liver carnitine-dependent palmitoyltransferase (L-CPT1) inhibitors such as 4-{[4-(5-Chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]thiazine-6-carbonyl]-amino}-benzoic acid, used for the treatment of non-insulin dependent diabetes; antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2011-02-01 US disclosed
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2010-05-27 US disclosed
US-7696200-B2 Bicyclic sulfonamide derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7527902-B2 Photoreceptor layer having solid and liquid lubricants XEROX CORPORATION (US) 2009-05-05 US disclosed
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-16 US disclosed
US-20070026330-A1 Photoreceptor layer having solid and liquid lubricants XEROX CORPORATION 2007-02-01 US disclosed
WO-2003064384-A2 ENVIRONMENT FRIENDLY REAGENTS AND PROCESS FOR TRIFLUOROMETHYLSULFINYLATION OF ORGANIC COMPOUNDS VIRBAC S.A. (FR) 2003-08-07 WO disclosed
US-5954943-A TREATING INTERIOR SURFACE OF FURNACE WITH SULFUR AND PHOSPHORUS COMPOUNDS TO FORM PASSIVATING PROTECTIVE COATING PRIOR TO INTRODUCING HYDROCARBON FEEDSTOCK AND STEAM FOR PYROLYSIS NALCO/EXXON ENERGY CHEMICALS, L.P. (US) 1999-09-21 US disclosed
EP-0773778-B1 HAIR STYLING COMPOSITION AND METHOD UNILEVER PLC (GB) 1999-03-31 EP disclosed
US-5656265-A Hair styling composition and method CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1997-08-12 US disclosed
EP-0773778-A1 HAIR STYLING COMPOSITION AND METHOD UNILEVER PLC (GB) 1997-05-21 EP disclosed
US-5605796-A REDUCING SIDE REACTION BY COMPLEXING WITH ENZYME WHICH DEGRADES COPIES BEHRINGWERKE AG (DE) 1997-02-25 US disclosed
WO-1996003966-A1 HAIR STYLING COMPOSITION AND METHOD UNILEVER PLC (GB) 1996-02-15 WO disclosed
WO-1996002672-A1 METHOD FOR PREVENTING AMPLIFICATION OF NUCLEIC ACID CONTAMINANTS IN AMPLIFICATION MIXTURES BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1996-02-01 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 (3 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-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 TSHR 2480/4885ALDH1A1 324/4885SMN1; SMN2 2801/4885
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 TSHR 2480/4885ALDH1A1 324/4885SMN1; SMN2 2801/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 TSHR 2480/4885ALDH1A1 324/4885SMN1; SMN2 2801/4885

“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.