SCHEMBL3633090

SCHEMBL3633090

CS(=O)(=O)O.Cc1nn(-c2cc(F)c(C(N)=O)c(N[C@H]3CC[C@H](OC(=O)CN)CC3)c2)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.66

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 20/20 0.66
HSP90AA1 P07900 18/20 0.66
HSP90B1 P14625 2/20 0.49
TRAP1 Q12931 2/20 0.49

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
SCHEMBL5008149 1.00 HSP90AB1 (0.66) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL8122858 0.97 HSP90AB1 (0.65) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3633461 0.97 HSP90AB1 (0.65) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL8122674 0.88 HSP90AB1 (0.63) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3632103 0.88 HSP90AB1 (0.63) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3630352 0.88 HSP90AB1 (0.79) HSP90AB1HSP90AA1HSP90B1TRAP1
Hydrochloric Acid SCHEMBL5009934 0.88 HSP90AB1 (0.62) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL8141540 0.88 HSP90AB1 (0.79) HSP90AB1HSP90AA1HSP90B1TRAP1
Hydrochloric Acid SCHEMBL3630521 0.88 HSP90AB1 (0.62) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3632189 0.87 HSP90AB1 (0.62) HSP90AB1HSP90AA1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146967-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES Serenex, Inc. (US) 2010-01-27 EP disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US 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-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 HSP90AB1 2/4885HSP90AA1 4/4885HSP90B1 13/4885

“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.