SCHEMBL3759669

SCHEMBL3759669

CCOc1ccc(S(=O)(=O)Cl)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.59
ALDH1A1 P00352 5/20 0.59
LMNA P02545 5/20 0.59
HTT P42858 4/20 0.59
MCOLN3 Q8TDD5 1/20 0.59
HPGD P15428 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 3/20 0.56
HSD17B10 Q99714 2/20 0.56
GAA P10253 2/20 0.56
PKM P14618 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL28358485 0.90 TSHR (0.49) TSHRALDH1A1LMNAHTTMCOLN3
SCHEMBL15461584 0.85 TSHR (0.61) TSHRALDH1A1LMNAHTTMCOLN3
SCHEMBL13812467 0.83 TSHR (0.59) TSHRALDH1A1LMNAHTTMCOLN3
SCHEMBL3754233 0.82 TSHR (0.58) TSHRALDH1A1LMNAHTTMCOLN3
SCHEMBL3754232 0.82 TSHR (0.58) TSHRALDH1A1LMNAHTTMCOLN3
SCHEMBL639511 0.81 ALDH1A1 (0.55) TSHRALDH1A1LMNAHTTMAPT
SCHEMBL2372535 0.81 ALDH1A1 (0.65) TSHRALDH1A1LMNAHTTMCOLN3
SCHEMBL14842559 0.81 FABP4 (0.50) TSHRALDH1A1LMNAHTTMCOLN3
SCHEMBL22116653 0.80 ALDH1A1 (0.53) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL50817 0.80 ALDH1A1 (0.54) TSHRALDH1A1LMNAHTTMCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-7049468-B2 Modulators of Rho C activity ICONIX PHARMACEUTICALS, INC. (US) 2006-05-23 US disclosed
EP-1453470-A4 MODULATORS OF RHO C ACTIVITY ICONIX PHARM INC (US) 2006-05-17 EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 US disclosed
EP-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 EP disclosed
EP-1453470-A1 MODULATORS OF RHO C ACTIVITY Iconix Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20030171341-A1 Method for modulating the activity of a Rho C enzyme, comprising: contacting said Rho C enzyme with an effective amount of a compound of formula 1: ENTELOS HOLDING CORP. 2003-09-11 US disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 WO disclosed
WO-2003043578-A2 MODULATORS OF RHO C ACTIVITY ICONIX PHARMACEUTICALS, INC. (US) 2003-05-30 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-20030171341-A1 Method for modulating the activity of a Rho C enzyme, comprising: contacting said Rho C enzyme with an effective amount of a compound of formula 1: RHOC, RHOA, ROCK1 TSHR 2816/4885ALDH1A1 1730/4885LMNA 1844/4885
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D TSHR 613/4885ALDH1A1 1048/4885LMNA 1334/4885

“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.