SCHEMBL1553475

SCHEMBL1553475

CC(C)(C)OC(=O)N[C@@H](CO)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.54
PRKCD Q05655 2/20 0.54
PTPN1 P18031 1/20 0.52
BCL2 P10415 1/20 0.51
GPR88 Q9GZN0 6/20 0.49
LTA4H P09960 1/20 0.48
ACACB O00763 1/20 0.48
PPARA Q07869 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5350616 1.00 PRKCA (0.54) PRKCAPRKCDPTPN1BCL2GPR88
SCHEMBL13802917 0.89 FFAR1 (0.53) PRKCAPRKCDPTPN1BCL2LTA4H
SCHEMBL5205611 0.89 FFAR1 (0.53) PRKCAPRKCDPTPN1BCL2LTA4H
SCHEMBL27983817 0.88 KMT2A (0.51) PTPN1ACACBPPARASMN1; SMN2
SCHEMBL12195404 0.85 PRKCA (0.54) PRKCAPRKCDGPR88ACACB
SCHEMBL3349953 0.85 RIPK1 (0.60) GPR88PPARA
SCHEMBL2481921 0.85 RIPK1 (0.60) GPR88PPARA
SCHEMBL127326 0.85 RIPK1 (0.60) GPR88PPARA
SCHEMBL191550 0.84 ATM (0.55) PRKCAPRKCDPTPN1BCL2LTA4H
SCHEMBL191549 0.84 ATM (0.55) PRKCAPRKCDPTPN1BCL2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018138739-A1 NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-08-02 WO disclosed
US-8497271-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-30 US disclosed
EP-2486030-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2013-07-24 EP disclosed
EP-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
US-20110245264-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-06 US disclosed
WO-2011044195-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed
US-7196081-B2 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-03-27 US disclosed
US-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-01 US disclosed
US-6737417-B2 AN ANTIESTROGENIC AGENT CONTAININING AROMATIC OR HETEROAROMATIC COMPOUNDS CONTAINING HYDROXYCARBONYL OR METAL SALT- HALOGENOALKYL SIDE CHAIN; USEFUL FOR TREATING BREAST CANCER CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-18 US disclosed
EP-1361205-A1 Compounds with hydroxycarbonyl-halogenalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-12 EP disclosed
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-10 US disclosed
US-20030114524-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chain CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-06-19 US disclosed
EP-1241158-A1 COMPOUND HAVING HYDROXYCARBONYL-HALOGENOALKYL SIDE CHAIN CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 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 (4 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-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CYP19A1, HSD17B11, SHBG PRKCA 4240/4885PRKCD 3586/4885PTPN1 3900/4885
US-20110245264-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 PRKCA 425/4885PRKCD 500/4885PTPN1 1900/4885
US-20030114524-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chain HSD17B11, CYP19A1, SHBG PRKCA 3383/4885PRKCD 2624/4885PTPN1 3429/4885
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains HSD17B11, CYP19A1, SHBG PRKCA 3444/4885PRKCD 2649/4885PTPN1 3437/4885

“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.