SCHEMBL7250840

SCHEMBL7250840

CS(=O)(=O)N(Cc1ccccc1)c1cc([C@@H](O)CN(CCOc2ccc3c(c2)[nH]c2ccccc23)Cc2ccccc2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
KCNH2 Q12809 1/20 0.39
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
ALK Q9UM73 1/20 0.36
MCL1 Q07820 4/20 0.35
NR1H3 Q13133 2/20 0.35
BCL2 P10415 1/20 0.35
MAOB P27338 1/20 0.35
HCRTR2 O43614 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PER2 O15055 1/20 0.34

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
SCHEMBL7248052 0.87 NR1H3 (0.40) ATMKCNH2CTSVCTSLALK
SCHEMBL7244459 0.87 NR1H3 (0.40) ATMKCNH2CTSVCTSLALK
SCHEMBL7526000 0.87 NR1H3 (0.40) ATMKCNH2CTSVCTSLALK
SCHEMBL6740556 0.84 ATM (0.40) ATMKCNH2CTSVCTSLALK
SCHEMBL6742339 0.84 ATM (0.40) ATMKCNH2CTSVCTSLALK
SCHEMBL7250639 0.84 ATM (0.40) ATMCTSVCTSLALKMCL1
Hydrochloric Acid SCHEMBL7246775 0.83 ATM (0.40) ATMCTSVCTSLALKMCL1
SCHEMBL6744527 0.82 ATM (0.39) ATMCTSVCTSLALKMCL1
SCHEMBL6741478 0.82 ATM (0.39) ATMCTSVCTSLALKMCL1
SCHEMBL7813505 0.81 ADRB3 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-03-06 US disclosed
EP-1254885-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE SECONDARY ALCOHOLS HAVING NITROGENOUS OR OXYGENIC FUNCTIONAL GROUPS Asahi Kasei Kabushiki Kaisha (JP) 2002-11-06 EP 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-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ADH1A, ADH5, ADH1C ATM 4240/4885KCNH2 1179/4885CTSV 4705/4885

“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.