SCHEMBL8484733

SCHEMBL8484733

COc1ccc(C(C)=O)c(SCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ HPGD P15428 5/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ CYP2C19 P33261 4/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2E1 P05181 1/20 0.48
▸ CYP2C8 P10632 1/20 0.48
▸ CYP2B6 P20813 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ KMT2A Q03164 8/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ CYP1A2 P05177 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL27361821 0.86 TSHR (0.45) ALDH1A1HPGDCYP3A4MAPK1CYP2C19
SCHEMBL8482557 0.81 ALDH1A1 (0.49) ALDH1A1HPGDMAPK1CYP2C19CYP2D6
SCHEMBL30016479 0.80 PTPRC (0.54) ALDH1A1HPGDCYP3A4CYP2C19CYP2C9
SCHEMBL18769941 0.80 PTPRC (0.54) ALDH1A1HPGDCYP3A4CYP2C19CYP2C9
SCHEMBL14011196 0.80 KMT2A (0.49) ALDH1A1CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL3157407 0.80 KMT2A (0.47) ALDH1A1CYP3A4MAPK1CYP2C19CYP2C9
SCHEMBL17080124 0.79 KDM4E (0.52) ALDH1A1HPGDCYP2C19CYP2C9CYP2D6
SCHEMBL11724672 0.79 KMT2A (0.65) ALDH1A1MAPK1CYP2C9KMT2AMEN1
SCHEMBL5043206 0.79 HPGD (0.46) ALDH1A1HPGDMAPK1CYP2C19CYP2D6
SCHEMBL8470680 0.78 HPGD (0.53) ALDH1A1HPGDCYP3A4MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3241822-B1 URAT1 INHIBITOR NIPPON CHEMIPHAR CO (JP) 2021-03-24 — — EP disclosed
CN-107108478-B URAT1 inhibitors 日本化学药品株式会社 2020-04-24 — — CN disclosed
US-10173990-B2 URAT1 inhibitor NIPPON CHEMIPHAR CO., LTD. (JP) 2019-01-08 — — US disclosed
EP-3241822-A1 URAT1 INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2017-11-08 — — EP disclosed
US-20170290795-A1 URAT1 INHIBITOR J-PHARMA CO., LTD. (JP) 2017-10-12 — — US disclosed
US-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 — — US disclosed
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 — — EP 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-20170290795-A1 URAT1 INHIBITOR SLC10A1, XDH, URB2 ALDH1A1 673/4885HPGD 4581/4885CYP3A4 3255/4885
US-10173990-B2 URAT1 inhibitor SLC10A1, XDH, URB2 ALDH1A1 672/4885HPGD 4601/4885CYP3A4 3262/4885

“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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