Sugi Predict

Sugi Predict / Compounds / SCHEMBL5731270

SCHEMBL5731270

SCHEMBL5731270

O=C(CCCNC(=O)[C@H](CS(=O)(=O)CC1CC1)NC(=O)N1CCOCC1)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 3/20 0.43
▸ CTSS P25774 9/20 0.41
▸ CAPN1 P07384 1/20 0.39
▸ FAAH O00519 3/20 0.38
▸ CES1 P23141 2/20 0.38
▸ DAGLA Q9Y4D2 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CTSL P07711 2/20 0.37
▸ CTSK P43235 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ CTSB P07858 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
SCHEMBL6467229 0.86 CTSS (0.40) TACR2CTSSFAAHCES1DAGLA
SCHEMBL6063106 0.85 DAGLA (0.41) CTSSFAAHCES1DAGLAALDH1A1
SCHEMBL5731268 0.84 CTSS (0.47) CTSS
SCHEMBL6063819 0.82 TACR2 (0.37) TACR2CTSSCAPN1FAAHCES1
SCHEMBL6061894 0.81 FAAH (0.42) CTSSFAAHCES1DAGLAALDH1A1
SCHEMBL6062624 0.81 FAAH (0.42) CTSSFAAHCES1DAGLAALDH1A1
SCHEMBL7116249 0.79 FAAH (0.45) TACR2CTSSFAAHCES1DAGLA
SCHEMBL5731264 0.79 CTSS (0.40) CTSSALDH1A1MEN1HTTKMT2A
SCHEMBL6462778 0.78 KDM4E (0.39) CTSSCAPN1FAAHCES1DAGLA
SCHEMBL7043175 0.77 DAGLA (0.46) TACR2CTSSFAAHCES1DAGLA

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-7091360-B2 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AVENTIS PHARMA S.A. (US) 2006-08-15 — — US disclosed
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AVENTIS PHARMACEUTICALS, INC. 2006-06-22 — — US disclosed
EP-1495007-A4 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARM INC (US) 2006-05-03 — — EP disclosed
EP-1495007-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2005-01-12 — — EP disclosed
US-20040019218-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AXYS PHARMACEUTICALS, INC. 2004-01-29 — — US disclosed
WO-2003087068-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2003-10-23 — — 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-20040019218-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ TACR2 1802/4885CTSS 7/4885CAPN1 699/4885
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ TACR2 1802/4885CTSS 7/4885CAPN1 699/4885

“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.