SCHEMBL4010189

SCHEMBL4010189

CS(=O)(=O)c1ccccc1OS(=O)(=O)c1ccc2[nH]nc(C#N)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.39
▸ HSD11B1 P28845 1/20 0.34
▸ HSD17B3 P37058 1/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ RIPK2 O43353 1/20 0.32
▸ METAP2 P50579 2/20 0.32
▸ METAP1 P53582 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ TTK P33981 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 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
SCHEMBL4008960 0.84 HSD11B1 (0.37) NTRK1HSD11B1HSD17B3LRRK2RIPK2
SCHEMBL4010520 0.83 HSD11B1 (0.36) NTRK1HSD11B1HSD17B3RIPK2METAP2
SCHEMBL4010492 0.83 HSD11B1 (0.36) NTRK1HSD11B1HSD17B3LRRK2RIPK2
SCHEMBL4013510 0.83 HSD11B1 (0.41) NTRK1HSD11B1HSD17B3RIPK2METAP2
SCHEMBL4013445 0.82 HPGD (0.45) NTRK1NTRK3LRRK2METAP2GAA
SCHEMBL4007876 0.81 LRRK2 (0.37) NTRK1LRRK2MAPK1MEN1ESR1
SCHEMBL4007967 0.80 NTRK1 (0.41) NTRK1HSD11B1HSD17B3NTRK3LRRK2
SCHEMBL4007219 0.78 TP53 (0.43) NTRK1MEN1GAAKMT2ALMNA
SCHEMBL4009508 0.78 NTRK1 (0.51) NTRK1NTRK3CSNK2A1
SCHEMBL4008083 0.76 CDK7 (0.48) NTRK3LRRK2MAPK1MAPK8CSNK2A1

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 NTRK1 1342/4885HSD11B1 1494/4885HSD17B3 1362/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 NTRK1 1376/4885HSD11B1 1685/4885HSD17B3 1359/4885

“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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