SCHEMBL7252170

SCHEMBL7252170

CS(=O)(=O)N(Cc1ccccc1)c1cccc(C(=O)CN(CCOc2ccc3c(c2)[nH]c2ccccc23)Cc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.41
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALK Q9UM73 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
MAPT P10636 1/20 0.36
PTPN1 P18031 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAOA P21397 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
Hydrochloric Acid SCHEMBL7249810 0.99 HCRTR2 (0.41) HCRTR2CTSVCTSLMAOBMEN1
SCHEMBL7245117 0.91 F10 (0.39) CTSVCTSLMEN1KMT2ABCHE
SCHEMBL7244715 0.87 HCRTR2 (0.40) HCRTR2CTSVCTSLMAOBALK
SCHEMBL7242828 0.87 ALDH1A1 (0.40) HCRTR2MAOBBCHEACHEMAPT
SCHEMBL7250639 0.87 ATM (0.40) HCRTR2CTSVCTSLMAOBMEN1
Hydrochloric Acid SCHEMBL7246775 0.86 ATM (0.40) HCRTR2CTSVCTSLMAOBMEN1
SCHEMBL7245227 0.85 BCHE (0.47) HCRTR2BCHEACHECNR1CNR2
SCHEMBL7250174 0.85 MAOB (0.41) HCRTR2MAOBMEN1KMT2ABCHE
SCHEMBL7248873 0.85 HCRTR2 (0.42) HCRTR2CTSVCTSLMAOBMEN1
SCHEMBL7246577 0.84 HCRTR2 (0.43) HCRTR2CTSVCTSLMAOBALK

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 HCRTR2 190/4885CTSV 4705/4885CTSL 4734/4885

“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.