SCHEMBL16984828

SCHEMBL16984828

O=S(=O)(OC[C@H](Cc1ccccc1)n1cccc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CA2 P00918 2/20 0.36
▸ TSHR P16473 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CPA1 P15085 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
SCHEMBL13108155 0.80 TDP1 (0.48) MAPTPOLBTSHRGAAKMT2A
SCHEMBL16563079 0.79 CA2 (0.45) CA2CA1CPA1
SCHEMBL12880107 0.69 MEN1 (0.41) POLBGAACA1KMT2AMEN1
SCHEMBL777315 0.69 CA2 (0.66) CA2TSHRCA1KMT2AALDH1A1
SCHEMBL30741856 0.69 CA2 (0.45) CA2TSHRCA1MAPK1
SCHEMBL31362703 0.68 NPSR1 (0.44) NPSR1MAPTCA2CA1KMT2A
SCHEMBL19713389 0.68 CA2 (0.44) NPSR1CA2TSHRCA1MAPK1
SCHEMBL12012234 0.68 CA2 (0.44) NPSR1CA2TSHRCA1MAPK1
SCHEMBL12012235 0.68 CA2 (0.44) NPSR1CA2TSHRCA1MAPK1
Ammonia Solution, Strong SCHEMBL28512991 0.68 CA2 (0.64) CA2TSHRCA1KMT2AALDH1A1

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-9796640-B2 Method for producing optically active carboxylic acid ester TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-10-24 — — US disclosed
US-9796640-B2 Method for producing optically active carboxylic acid ester TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-10-24 — — US disclosed
US-20170008820-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-01-12 — — US disclosed
US-20170008820-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-01-12 — — US disclosed
WO-2015115650-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER 学校法人東京理科大学 2015-08-06 — — 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 (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-20170008820-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ADH1A, ALDH1A2, ADH1C NPSR1 2811/4885HSD17B10 194/4885MAPT 2920/4885

“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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