SCHEMBL3036592

SCHEMBL3036592

C=CCCCCCCCC1(S(N)(=O)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ABCC4 O15439 1/20 0.34
MAPT P10636 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31

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
SCHEMBL4979127 1.00 TSHR (0.34) TSHRABCC4MAPTCA2CA9
SCHEMBL2413342 1.00 TSHR (0.34) TSHRABCC4MAPTCA2CA9
SCHEMBL787742 0.92 CA2 (0.36) TSHRCA2CA9ALDH1A1
SCHEMBL4982725 0.82 ALDH1A1 (0.33) ABCC4MAPTALDH1A1LMNA
SCHEMBL4981535 0.82 ALDH1A1 (0.33) ABCC4MAPTALDH1A1LMNA
SCHEMBL10098972 0.77 TSHR (0.34) TSHRALDH1A1
SCHEMBL14856831 0.74 MAPT (0.40) ABCC4MAPTALDH1A1LMNA
SCHEMBL28271505 0.72 CA2 (0.39) CA2CA9
SCHEMBL635041 0.71 CA2 (0.32) CA2CA9
SCHEMBL25230581 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2066688-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES Novartis AG (CH) 2009-06-10 EP disclosed
EP-1505945-B1 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-11-05 EP disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed
EP-1505945-A4 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP disclosed
US-6878722-B2 Substituted cycloalkyl P1′ hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-12 US disclosed
EP-1505945-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2005-02-16 EP disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 TSHR 3678/4885ABCC4 709/4885MAPT 1444/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP TSHR 4112/4885ABCC4 2239/4885MAPT 4577/4885

“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.