Sugi Predict

Sugi Predict / Compounds / SCHEMBL4121216

SCHEMBL4121216

SCHEMBL4121216

COC(=O)c1sc2cc(Br)ccc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ GLA P06280 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAOB P27338 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ GAA P10253 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ NR4A2 P43354 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CASP1 P29466 1/20 0.40

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
SCHEMBL29445467 1.00 MAPT (0.45) MAPTKDM4EALDH1A1HSD17B10GLA
SCHEMBL17204642 0.85 ALDH1A1 (0.47) MAPTKDM4EALDH1A1HSD17B10GLA
SCHEMBL29445510 0.84 MAPK1 (0.43) MAPTKDM4EALDH1A1HSD17B10GLA
SCHEMBL30570855 0.84 KDM4E (0.64) MAPTKDM4EALDH1A1HSD17B10GLA
SCHEMBL22598024 0.84 MAPK1 (0.43) MAPTKDM4EALDH1A1HSD17B10GLA
SCHEMBL13926048 0.83 BCL2L1 (0.51) MAPTKDM4EALDH1A1HSD17B10GLA
SCHEMBL2578736 0.82 RXFP1 (0.53) MAPTKDM4EALDH1A1HSD17B10GLA
SCHEMBL2428432 0.81 MAPK1 (0.41) MAPTKDM4EALDH1A1HSD17B10GLA
SCHEMBL2470228 0.81 TSHR (0.40) MAPTALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL7491144 0.81 MAOB (0.45) MAPTKDM4EALDH1A1HSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848591-B HDAC inhibitors and methods of making and using the same 成都先导药物开发股份有限公司 2022-03-18 — — CN disclosed
CN-111848591-A HDAC inhibitors and methods of making and using the same 成都先导药物开发股份有限公司 2020-10-30 — — CN disclosed
WO-2020216298-A1 HDAC INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 成都先导药物开发股份有限公司 2020-10-29 — — WO disclosed
WO-2020216298-A1 HDAC INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 成都先导药物开发股份有限公司 2020-10-29 — — WO disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 — — US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 — — US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 — — US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 — — WO 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM MAPT 3303/4885KDM4E 899/4885ALDH1A1 2329/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM MAPT 3303/4885KDM4E 899/4885ALDH1A1 2329/4885

“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.