SCHEMBL934485

SCHEMBL934485

CC[CH]SCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MAOB P27338 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PRMT1 Q99873 1/20 0.39
IDO1 P14902 3/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CALM1 P0DP23 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL11186271 0.83 TP53 (0.41) TP53MAOBCYP1A2CYP3A4CYP2D6
SCHEMBL5165136 0.81 MAOB (0.52) TP53MAOBCYP1A2CYP3A4CYP2D6
SCHEMBL11380502 0.80 TP53 (0.42) TP53CYP1A2CYP3A4CYP2D6NOS1
SCHEMBL8409690 0.80 IDO1 (0.44) CYP1A2IDO1RAB9AGAATAAR1
SCHEMBL5272709 0.79 CYP1A2 (0.39) TP53MAOBCYP1A2CYP3A4CYP2D6
SCHEMBL8748289 0.79 CYP2C19 (0.43) TP53CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19036474 0.78 MAOB (0.44) TP53MAOBCYP1A2CYP3A4CYP2D6
SCHEMBL8410255 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6NOS1HSD17B10
SCHEMBL11179571 0.78 SIGMAR1 (0.41) TP53
SCHEMBL5073225 0.77 EPHX2 (0.42) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023101004-A1 OLEFIN RESIN, METHOD FOR MANUFACTURING SAME, AND APPLICATION FOR SAME 三井化学株式会社 2023-06-08 WO disclosed
US-9957272-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2018-05-01 US disclosed
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE VICTORIA LINK LIMITED (NZ) 2017-06-15 US disclosed
US-9493465-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2016-11-15 US disclosed
US-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2012-06-21 US disclosed
EP-2454263-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE The Albert Einstein College Of Medicine Of Yeshiva University (US) 2012-05-23 EP disclosed
WO-2011008110-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE OF YESHIVA UNIVERSITY (US) 2011-01-20 WO disclosed
US-4598155-A 3(5-tetrazolyl)1,4-diaminoanthraquinones CIBA-GEIGY CORPORATION (US) 1986-07-01 US disclosed
EP-0079862-B1 1,4-DIAMINO-ANTHRAQUINONE COMPOUNDS CIBA-GEIGY AG (CH) 1986-01-15 EP disclosed
US-4393070-A HYPOTENSIVE, VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-07-12 US disclosed
EP-0079862-A2 1,4-Diamino-anthraquinone compounds CIBA-GEIGY AG (CH) 1983-05-25 EP disclosed
US-4307103-A TREATMENT OF HYPERTENSION AND CARDIOVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-22 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 (2 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-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP TP53 1476/4885MAOB 1304/4885CYP1A2 1470/4885
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP TP53 1494/4885MAOB 1365/4885CYP1A2 1375/4885

“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.