Sugi Predict

Sugi Predict / Compounds / SCHEMBL2159357

SCHEMBL2159357

SCHEMBL2159357

COC(=O)c1cc(Cl)cc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ XBP1 P17861 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HCAR1 Q9BXC0 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA7 P43166 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ LMNA P02545 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48

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
SCHEMBL30045029 1.00 TPMT (0.61) TPMTALDH1A1MEN1MAPTKMT2A
SCHEMBL67540 0.92 ALDH1A1 (0.62) TPMTALDH1A1MEN1MAPTKMT2A
SCHEMBL9121827 0.89 CA12 (0.60) TPMTALDH1A1MAPTKDM4ECA12
SCHEMBL7234945 0.89 CA12 (0.60) TPMTALDH1A1MAPTKDM4ECA12
SCHEMBL8444679 0.89 ALDH1A1 (0.54) TPMTALDH1A1MEN1MAPTKMT2A
SCHEMBL588343 0.87 ALDH1A1 (0.62) TPMTALDH1A1MEN1MAPTKMT2A
Methyl Alcohol SCHEMBL28269742 0.87 CA12 (0.58) TPMTALDH1A1MAPTKDM4ECA12
SCHEMBL4734613 0.84 ALDH1A1 (0.56) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL16961231 0.84 ALDH1A1 (0.56) TPMTALDH1A1MEN1MAPTKMT2A
SCHEMBL69625 0.82 TPMT (0.89) TPMTALDH1A1MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872894-B Synthesis of nonionic contrast agents 上海慧聚药业有限公司 2024-12-24 — — CN disclosed
CN-115551839-B Heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-04 — — CN disclosed
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-18 — — US disclosed
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-18 — — US disclosed
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-18 — — US disclosed
CN-115872894-A Synthesis of non-ionic contrast agents 上海慧聚药业有限公司 2023-03-31 — — CN disclosed
CN-115551839-A Heteroaryl-triazole compounds as pesticides 拜耳公司 2022-12-30 — — CN disclosed
EP-4107151-A1 HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-12-28 — — EP disclosed
US-10125125-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-11-13 — — US disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 — — US disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — WO disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — WO disclosed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 — — US disclosed
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 — — US disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 — — WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
EP-0604019-B1 N-Acetonylbenzamides and their use as fungicides ROHM & HAAS (US) 1996-05-08 — — EP disclosed
EP-0604019-A1 N-Acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1994-06-29 — — EP disclosed
US-5254584-A Controlling phytopathogens ROHM AND HAAS COMPANY (US) 1993-10-19 — — 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 (5 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-10125125-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors S100A9, S100B, S100A10 TPMT 1011/4885ALDH1A1 4109/4885MEN1 1176/4885
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 TPMT 4574/4885ALDH1A1 4213/4885MEN1 3891/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 TPMT 1011/4885ALDH1A1 4109/4885MEN1 1176/4885
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors APP, BACE1, BACE2 TPMT 1024/4885ALDH1A1 2529/4885MEN1 4596/4885
US-20060116410-A1 4-Aminomethyl benzamidine derivatives F7, HABP2, F12 TPMT 676/4885ALDH1A1 965/4885MEN1 1702/4885

“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.