Sugi Predict

Sugi Predict / Compounds / SCHEMBL717566

SCHEMBL717566

SCHEMBL717566

CC(C)(C)OC(=O)[C@@H]1CCC(=O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ UCHL1 P09936 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ HDAC8 Q9BY41 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
SCHEMBL721105 1.00 PTPN1 (0.38) PTPN1HSD17B10EPHX2MAPK1KDM4E
SCHEMBL22543468 0.91 PTPN1 (0.46) PTPN1HSD17B10EPHX2KDM4EMEN1
SCHEMBL5761827 0.91 PTPN1 (0.46) PTPN1HSD17B10EPHX2KDM4EMEN1
SCHEMBL10058225 0.91 PTPN1 (0.46) PTPN1HSD17B10EPHX2KDM4EMEN1
SCHEMBL19566140 0.91 NPC1 (0.38) PTPN1HSD17B10KDM4ECHRM2CHRM1
SCHEMBL4497625 0.88 HSD17B10 (0.43) PTPN1HSD17B10CHRM2CHRM1CHRM3
SCHEMBL717567 0.88 HSD17B10 (0.43) PTPN1HSD17B10CHRM2CHRM1CHRM3
SCHEMBL9949587 0.88 MAPK1 (0.37) HSD17B10EPHX2MAPK1KDM4EMEN1
SCHEMBL16749567 0.88 FKBP1A (0.41) PTPN1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL15288010 0.88 FKBP1A (0.41) PTPN1HSD17B10KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320884-A1 HYDROXMETHYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 — — US disclosed
US-20170320884-A1 HYDROXMETHYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 — — US disclosed
WO-2016086358-A1 HYDROXYMETHYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-09 — — WO disclosed
US-20120053350-A1 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS MERCK SHARP & DOHME CORP. 2012-03-01 — — US disclosed
US-20120053350-A1 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS MERCK SHARP & DOHME CORP. 2012-03-01 — — US 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-20120053350-A1 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS SULT1A1, SULT1E1, PGD PTPN1 3462/4885HSD17B10 338/4885EPHX2 1530/4885
US-20170320884-A1 HYDROXMETHYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR PTPN1 2681/4885HSD17B10 1750/4885EPHX2 1057/4885

“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.