SCHEMBL18701988

SCHEMBL18701988

CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.48
▸ CNR1 P21554 2/20 0.44
▸ SPR P35270 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ F10 P00742 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL18711520 0.85 MEN1 (0.52) EPHX2CNR1SPRPOLBALDH1A1
SCHEMBL18702271 0.81 PKM (0.62) EPHX2CNR1SPRNPC1RAB9A
SCHEMBL18701934 0.81 L3MBTL1 (0.57) POLBALDH1A1PKMMAPTKMT2A
SCHEMBL18702064 0.74 KMT2A (0.56) CNR1RAB9APOLBPKMMEN1
SCHEMBL18701940 0.74 PKM (0.67) NPC1RAB9APOLBALDH1A1PKM
SCHEMBL18702169 0.74 MAPT (0.67) CNR1POLBALDH1A1HTTPKM
SCHEMBL18701981 0.73 CNR1 (0.53) CNR1ALDH1A1HTTMEN1KMT2A
SCHEMBL18702062 0.73 CNR1 (0.63) CNR1POLBALDH1A1HTTMEN1
SCHEMBL29936087 0.72 PKM (0.46) EPHX2ALDH1A1HTTPKMMAPT
SCHEMBL18701967 0.72 ALDH1A1 (0.53) EPHX2CNR1SPRPOLBALDH1A1

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
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR EPHX2 1398/4885CNR1 568/4885SPR 1/4885

“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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