SCHEMBL17321028

SCHEMBL17321028

Cc1cc2occ(COS(C)(=O)=O)c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.41
▸ KCNA2 P16389 1/20 0.36
▸ KCNA1 Q09470 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MTNR1A P48039 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GAA P10253 1/20 0.30

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
SCHEMBL17321030 0.94 ALOX15 (0.41) ALOX15KCNA2KCNA1KMT2AMTNR1A
SCHEMBL15898910 0.83 KIF11 (0.33) ALOX15MTNR1AMAPT
SCHEMBL15898860 0.82 MTNR1A (0.33) ALOX15KCNA2KCNA1MTNR1A
SCHEMBL15898930 0.80 KIF11 (0.33) ALOX15MTNR1AMAPT
SCHEMBL17321018 0.77 MAPT (0.55) ALOX15KMT2AALDH1A1MEN1POLB
SCHEMBL17321017 0.77 THRB (0.46) ALOX15MTNR1AALDH1A1POLBTSHR
SCHEMBL22817321 0.76 SCN9A (0.33) ALOX15ALDH1A1KDM4ETSHR
SCHEMBL17321027 0.74 ALOX15 (0.45) ALOX15KCNA2KCNA1KMT2AMTNR1A
SCHEMBL17321014 0.73 PDE10A (0.43) MTNR1AALDH1A1POLBKDM4EHSD17B10
SCHEMBL17324189 0.73 MTNR1A (0.40) KMT2AMTNR1AMAPTSMN1; SMN2

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 ALOX15 1874/4885KCNA2 1423/4885KCNA1 1118/4885

“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.

Send feedback