SCHEMBL5737252

SCHEMBL5737252

CC(C)(C)OC(=O)NC(CCS(C)(=O)=O)[C@H](O)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 5/20 0.39
HPGD P15428 4/20 0.39
HTT P42858 4/20 0.39
NPSR1 Q6W5P4 4/20 0.39
PKM P14618 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 3/20 0.39
XBP1 P17861 3/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 6/20 0.38
PTPN2 P17706 4/20 0.38
TP53 P04637 2/20 0.37
AGTR1 P30556 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5737246 1.00 MAPT (0.40) MAPTATMLMNAHPGDHTT
SCHEMBL5736600 0.88 NPC1 (0.42) MAPTATMLMNAHSD17B10ALDH1A1
SCHEMBL5736602 0.88 NPC1 (0.42) MAPTATMLMNAHSD17B10ALDH1A1
SCHEMBL5729161 0.86 CTSK (0.43) MAPTLMNAHSD17B10ALDH1A1TSHR
SCHEMBL5729158 0.86 CTSK (0.43) MAPTLMNAHSD17B10ALDH1A1TSHR
SCHEMBL5421407 0.86 RAB9A (0.41) MAPTATMLMNAHPGDHTT
SCHEMBL5513715 0.86 RAB9A (0.41) MAPTATMLMNAHPGDHTT
SCHEMBL5412012 0.86 RAB9A (0.41) MAPTATMLMNAHPGDHTT
SCHEMBL5731227 0.85 CTSK (0.46) MAPTATMLMNAHPGDHTT
SCHEMBL5731226 0.85 CTSK (0.46) MAPTATMLMNAHPGDHTT

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 MAPT 3532/4885ATM 4621/4885LMNA 2489/4885
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ MAPT 3532/4885ATM 4621/4885LMNA 2489/4885

“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.