SCHEMBL4662812

SCHEMBL4662812

O=S(=O)(NCc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.71
▸ KEAP1 Q14145 1/20 0.69
▸ TP53 P04637 1/20 0.66
▸ LMNA P02545 2/20 0.57
▸ SLC12A2 P55011 1/20 0.57
▸ SLC12A5 Q9H2X9 1/20 0.57
▸ MCL1 Q07820 1/20 0.56
▸ GPR17 Q13304 1/20 0.56
▸ CA12 O43570 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ CNR1 P21554 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NAMPT P43490 1/20 0.55
▸ AKR1C3 P42330 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54

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
SCHEMBL27670793 0.90 KEAP1 (0.69) CYP19A1KEAP1TP53LMNASLC12A2
SCHEMBL21048461 0.88 KEAP1 (0.81) CYP19A1KEAP1LMNACA12CA9
SCHEMBL5960081 0.86 CYP19A1 (0.80) CYP19A1TP53LMNAGPR17CA12
SCHEMBL10904384 0.86 CYP19A1 (0.70) CYP19A1KEAP1TP53LMNASLC12A2
SCHEMBL5123459 0.84 AKR1C3 (0.77) CYP19A1TP53LMNAMCL1GPR17
SCHEMBL407414 0.82 KEAP1 (1.00) KEAP1LMNASLC12A2SLC12A5CA12
SCHEMBL13973164 0.82 CYP19A1 (0.63) CYP19A1KEAP1TP53LMNASLC12A2
SCHEMBL8789480 0.81 CYP19A1 (0.78) CYP19A1KEAP1TP53LMNASLC12A2
SCHEMBL4662845 0.81 KEAP1 (0.76) CYP19A1KEAP1TP53LMNASLC12A2
SCHEMBL12530955 0.81 CYP19A1 (0.62) CYP19A1TP53LMNASLC12A2SLC12A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104353-B1 HEAT SENSITIVE RECORD MATERIAL HODOGAYA CHEMICAL CO., LTD. (JP) 1987-10-28 — — EP claimed
EP-2007760-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-31 — — EP disclosed
WO-2007108569-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-09-27 — — WO 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
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-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 (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-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 CYP19A1 993/4885KEAP1 541/4885TP53 4483/4885

“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.

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