SCHEMBL4004255

SCHEMBL4004255

Cc1n[nH]c2ccc(OS(=O)(=O)c3ccccc3S(C)(=O)=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ TTK P33981 3/20 0.38
▸ F2 P00734 7/20 0.38
▸ LRRK2 Q5S007 3/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35

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
SCHEMBL4003706 0.86 TTK (0.37) MEN1ESR1KMT2AATMESR2
SCHEMBL4006912 0.86 MEN1 (0.41) MEN1ESR1KMT2AATMESR2
SCHEMBL4007104 0.86 F2 (0.38) MEN1ESR1KMT2AATMESR2
SCHEMBL4007930 0.85 TTK (0.56) TTKLRRK2MAPK8DYRK1A
SCHEMBL4007876 0.83 LRRK2 (0.37) MEN1ESR1KMT2AATMESR2
SCHEMBL4008425 0.82 PRKAG1 (0.40) TTKF2MAPK8
SCHEMBL4008356 0.80 YTHDC1 (0.53) —
SCHEMBL4008960 0.79 HSD11B1 (0.37) CYP1A2MEN1ESR1KMT2AESR2
SCHEMBL4011763 0.79 ITK (0.57) —
SCHEMBL4008142 0.78 PDPK1 (0.60) MAPK8DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 — — US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US disclosed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 — — EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 — — 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 CYP1A2 626/4885MEN1 2247/4885ESR1 3077/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 CYP1A2 642/4885MEN1 2443/4885ESR1 3499/4885

“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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