SCHEMBL17321017

SCHEMBL17321017

Cc1ccc2occ(COS(C)(=O)=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.46
▸ MAPT P10636 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ MTNR1A P48039 2/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TP53 P04637 1/20 0.39

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
SCHEMBL17321018 0.88 MAPT (0.55) MAPTALDH1A1TSHRMAPK1ALOX15
SCHEMBL17321014 0.84 PDE10A (0.43) THRBMAPTALDH1A1MTNR1ACA2
SCHEMBL17324189 0.81 MTNR1A (0.40) THRBMAPTMTNR1ASMN1; SMN2TP53
SCHEMBL15898881 0.79 MTNR1A (0.46) MTNR1A
SCHEMBL11582560 0.77 ALDH1A1 (0.55) THRBMAPTALDH1A1TSHRCA12
SCHEMBL17321028 0.77 ALOX15 (0.41) MAPTALDH1A1TSHRMTNR1AALOX15
SCHEMBL17321030 0.77 ALOX15 (0.41) MAPTALDH1A1TSHRMTNR1AALOX15
SCHEMBL15898860 0.73 MTNR1A (0.33) MTNR1AALOX15
SCHEMBL5643020 0.73 TAAR1 (0.44) ALDH1A1TSHRCA1CA2CA9
SCHEMBL17321038 0.72 MAPT (0.56) THRBMAPTPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 — — 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-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 THRB 1314/4885MAPT 828/4885ALDH1A1 2883/4885

“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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