SCHEMBL4008960

SCHEMBL4008960

Cc1n[nH]c2ccc(S(=O)(=O)Oc3ccccc3S(C)(=O)=O)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.37
▸ HSD17B3 P37058 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ NTRK1 P04629 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33

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
SCHEMBL4013510 0.87 HSD11B1 (0.41) HSD11B1HSD17B3MEN1KMT2AESR1
SCHEMBL4010520 0.87 HSD11B1 (0.36) HSD11B1HSD17B3MEN1KMT2AESR1
SCHEMBL4010492 0.87 HSD11B1 (0.36) HSD11B1HSD17B3LRRK2MEN1KMT2A
SCHEMBL4013445 0.86 HPGD (0.45) LRRK2GAAMETAP2NTRK1CSNK2A1
SCHEMBL4010189 0.84 NTRK1 (0.39) HSD11B1HSD17B3LRRK2MEN1KMT2A
SCHEMBL4007967 0.83 NTRK1 (0.41) HSD11B1HSD17B3LRRK2LMNANTRK1
SCHEMBL4009508 0.82 NTRK1 (0.51) NTRK1CSNK2A1
SCHEMBL4008083 0.79 CDK7 (0.48) LRRK2MAPK1CSNK2A1PDPK1JAK2
SCHEMBL4007991 0.79 CSNK2A1 (0.54) NTRK1CSNK2A1JAK2
SCHEMBL4004255 0.79 CYP1A2 (0.39) CYP1A2LRRK2MEN1KMT2AESR1

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 HSD11B1 1494/4885HSD17B3 1362/4885CYP1A2 626/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 HSD11B1 1685/4885HSD17B3 1359/4885CYP1A2 642/4885

“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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