Sugi Predict

Sugi Predict / Compounds / SCHEMBL3922933

SCHEMBL3922933

SCHEMBL3922933

COc1cc(Br)c(O)c(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ USP2 O75604 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.44
▸ ALOX5 P09917 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ AKR1C4 P17516 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL30601557 1.00 CYP3A4 (0.50) CYP3A4MAPK1ALDH1A1HPGDUSP2
SCHEMBL5241500 0.83 GAA (0.50) CYP3A4ALDH1A1HPGDHTTSLC22A12
SCHEMBL5415882 0.83 SLC22A12 (0.43) HTTSLC22A12ALOX5PTGS2AKR1C4
SCHEMBL18675186 0.82 CYP3A4 (0.67) CYP3A4MAPK1ALDH1A1HPGDUSP2
SCHEMBL5838887 0.81 CYP3A4 (0.58) CYP3A4MAPK1ALDH1A1HPGDUSP2
SCHEMBL31426090 0.80 GSK3B (0.47) ALDH1A1HPGDSMN1; SMN2SLC22A12ALOX5
SCHEMBL3927448 0.80 GSK3B (0.47) ALDH1A1HPGDSMN1; SMN2SLC22A12ALOX5
SCHEMBL31426087 0.80 GSK3B (0.47) ALDH1A1HPGDSMN1; SMN2SLC22A12ALOX5
SCHEMBL4480739 0.79 ALDH1A1 (0.44) CYP3A4MAPK1ALDH1A1HPGDUSP2
SCHEMBL18031885 0.79 ALDH1A1 (0.44) CYP3A4MAPK1ALDH1A1HPGDUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250114345-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A/ SK LIFE SCIENCE LABS 2025-04-10 — — US disclosed
WO-2025049994-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A SK LIFE SCIENCE LABS (US) 2025-03-06 — — WO disclosed
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate MAVERIX ONCOLOGY, INC. (US) 2023-09-19 — — US disclosed
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 — — CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 — — US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 — — US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 — — EP disclosed
WO-2019152955-A9 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE EVERETT STEVEN ALBERT (US) 2020-08-13 — — WO disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 — — CN disclosed
WO-2019152911-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES EVERETT STEVEN ALBERT (US) 2019-08-08 — — WO disclosed
WO-2019152955-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE EVERETT STEVEN ALBERT (US) 2019-08-08 — — WO disclosed
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 — — EP disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 — — US disclosed
CN-100395234-C Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-06-18 — — CN disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 — — US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 — — US disclosed
CN-101012193-A Novel CB 1 receptour inverse agonists HOFFMANN LA ROCHE (CH) 2007-08-08 — — CN disclosed
CN-1735593-A Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2006-02-15 — — CN disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 — — 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 (6 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA CYP3A4 2840/4885MAPK1 955/4885ALDH1A1 675/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB CYP3A4 2853/4885MAPK1 864/4885ALDH1A1 683/4885
US-20250114345-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF EP300, CREBBP, HDAC1 CYP3A4 2152/4885MAPK1 2178/4885ALDH1A1 1582/4885
US-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 CYP3A4 1352/4885MAPK1 989/4885ALDH1A1 1464/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CYP3A4 1429/4885MAPK1 1152/4885ALDH1A1 1498/4885
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate ZYX, SLC7A5, GMPS CYP3A4 3627/4885MAPK1 3250/4885ALDH1A1 2475/4885

“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.