SCHEMBL19095523

SCHEMBL19095523

CCOC(=O)C=C1CS(O)(O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ RECQL P46063 2/20 0.36
▸ CTDSP1 Q9GZU7 2/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL17298097 0.85 ESR2 (0.44) ESR2HCAR2NPSR1HSD17B10HPGD
SCHEMBL19095542 0.81 ESR2 (0.49) ESR2HCAR2NPSR1HSD17B10HPGD
SCHEMBL2502784 0.79 — —
SCHEMBL25678369 0.77 ESR2 (0.44) ESR2HCAR2NPSR1HSD17B10HPGD
SCHEMBL905258 0.76 ESR2 (0.54) ESR2HCAR2NPSR1HSD17B10HPGD
SCHEMBL1668850 0.76 ESR2 (0.54) ESR2HCAR2NPSR1HSD17B10HPGD
SCHEMBL25311256 0.74 ESR2 (0.53) ESR2HCAR2NPSR1HSD17B10HPGD
SCHEMBL1978877 0.74 ESR2 (0.45) ESR2HCAR2NPSR1HSD17B10HPGD
SCHEMBL3812522 0.74 ESR2 (0.53) ESR2HCAR2NPSR1HSD17B10HPGD
SCHEMBL15774930 0.74 ESR2 (0.45) ESR2HCAR2NPSR1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148975-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-11-28 — — EP disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 — — US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 — — 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 (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-20170197978-A1 NOVEL COMPOUNDS RORC, RORB, RORA ESR2 84/4885HCAR2 121/4885NPSR1 696/4885

“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.

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