Sugi Predict

Sugi Predict / Compounds / SCHEMBL1757771

SCHEMBL1757771

SCHEMBL1757771

CC(C)(O)c1ccc(CBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TRPA1 O75762 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ESR1 P03372 5/20 0.39
▸ ESR2 Q92731 4/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ CCR9 P51686 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ JAK2 O60674 1/20 0.33

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
SCHEMBL17281438 0.82 TSHR (0.46) MEN1KMT2ATRPA1ALDH1A1TSHR
SCHEMBL121893 0.80 TSHR (0.48) MEN1KMT2ATRPA1ALDH1A1TSHR
SCHEMBL18428503 0.80 ESR1 (0.46) MEN1KMT2ATRPA1ALDH1A1TSHR
SCHEMBL128572 0.80 LPL (0.46) MEN1KMT2ATRPA1ALDH1A1ESR1
SCHEMBL548475 0.80 ESR1 (0.43) MEN1KMT2AALDH1A1TSHRESR1
SCHEMBL548192 0.80 MEN1 (0.45) MEN1KMT2AESR1ESR2CCR9
SCHEMBL196799 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRESR1
SCHEMBL2273380 0.78 TSHR (0.46) MEN1KMT2ATRPA1ALDH1A1TSHR
SCHEMBL2175643 0.78 EPHX2 (0.46) MEN1KMT2ATSHRESR1ESR2
SCHEMBL4621865 0.78 TSHR (0.46) MEN1KMT2ATRPA1ALDH1A1TSHR

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085416-A1 GSPT1 COMPOUNDS AND METHODS OF USE OF THE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-24 — — WO disclosed
WO-2025085489-A1 GSPT1-DEGRADING COMPOUNDS, ANTI-CD33 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-24 — — WO disclosed
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 — — US disclosed
CN-117924258-A Pyridone compound derivative and application thereof 复旦大学 2024-04-26 — — CN disclosed
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 — — US disclosed
EP-4149924-A1 CYP11A1 INHIBITORS Orion Corporation (FI) 2023-03-22 — — EP disclosed
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents SOUTHERN RESEARCH INSTITUTE (US) 2023-02-14 — — US disclosed
CN-115551831-A CYP11A1 inhibitor 奥赖恩公司 2022-12-30 — — CN disclosed
WO-2022257961-A1 BENZOHETEROCYCLIC COMPOUND FOR TREATING EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 — — WO disclosed
US-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. 2022-10-20 — — US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 — — US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 — — US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 — — US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 — — WO disclosed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 — — WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 — — US disclosed
US-6646143-B2 Anticancer agents; skin disorders LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-11-11 — — US disclosed
US-20030004144-A1 Vitamin d analogues LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-01-02 — — US disclosed
EP-1254111-A1 NOVEL VITAMIN D ANALOGUES Leo Pharma A/S (DK) 2002-11-06 — — EP disclosed
WO-2001051464-A1 NOVEL VITAMIN D ANALOGUES LEO PHARMA A/S (DK) 2001-07-19 — — 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 (7 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 MEN1 3402/4885KMT2A 2769/4885TRPA1 238/4885
US-20230192677-A1 CYP11A1 INHIBITORS CYP11B1, CYP11B2, CYP17A1 MEN1 1124/4885KMT2A 3233/4885TRPA1 4743/4885
US-20030004144-A1 Vitamin d analogues CYP24A1, CYP2R1, VDR MEN1 561/4885KMT2A 2749/4885TRPA1 4883/4885
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 MEN1 2991/4885KMT2A 3271/4885TRPA1 139/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS MEN1 4456/4885KMT2A 2568/4885TRPA1 3460/4885
US-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYP46A1, CYP26A1, CYP21A2 MEN1 3333/4885KMT2A 1726/4885TRPA1 2869/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 MEN1 1007/4885KMT2A 3526/4885TRPA1 3542/4885

“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.