Sugi Predict

Sugi Predict / Compounds / SCHEMBL3913952

SCHEMBL3913952

SCHEMBL3913952

CC(C)[C@H](O)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ LTA4H P09960 1/20 0.52
▸ LAP3 P28838 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CTSB P07858 1/20 0.49
▸ SLC15A1 P46059 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.47
▸ ELANE P08246 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CTSL P07711 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPT P10636 1/20 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
SCHEMBL11821568 1.00 ALDH1A1 (0.58) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL329135 1.00 ALDH1A1 (0.58) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL23342987 0.89 ALDH1A1 (0.55) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL23342972 0.89 ALDH1A1 (0.55) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL21843047 0.89 ALDH1A1 (0.58) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL17384657 0.89 ALDH1A1 (0.58) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL14066236 0.88 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL366832 0.88 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL1600361 0.88 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL6575848 0.88 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 — — US disclosed
WO-2023178641-A1 DNA TOXIC DIMER COMPOUND AND CONJUGATE THEREOF 成都百利多特生物药业有限责任公司 2023-09-28 — — WO disclosed
WO-2023098889-A1 ANTI-HUMAN TROP2 ANTIBODY-CAMPTOTHECIN DRUG CONJUGATE AND MEDICAL USE THEREOF 成都百利多特生物药业有限责任公司 2023-06-08 — — WO disclosed
WO-2023090366-A1 ANTICANCER AGENT AND CARDIAC-FUNCTION-IMPROVING AGENT 株式会社 PRISM BioLab 2023-05-25 — — WO disclosed
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2022-03-31 — — US disclosed
CN-108473499-B Novel pyrazolopyrimidine derivatives 诺华股份有限公司 2021-07-23 — — CN disclosed
US-20200289514-A1 Novel Pyrazolo Pyrimidine Derivatives NOVARTIS PHARMA AG (CH) 2020-09-17 — — US disclosed
CN-108473499-A Novel Pyrazolopyrimidine derivative 诺华股份有限公司 2018-08-31 — — CN disclosed
US-9422341-B2 Method for producing cereulide and derivative thereof, intermediate for production of cereulide, and cereulide derivative STELLA PHARMA CORPORATION (JP) 2016-08-23 — — US disclosed
US-9422341-B2 Method for producing cereulide and derivative thereof, intermediate for production of cereulide, and cereulide derivative STELLA PHARMA CORPORATION (JP) 2016-08-23 — — US disclosed
EP-1923386-A2 Carbamate caspase inhibitors and uses thereof Vertex Pharmceuticals Incorporated (US) 2008-05-21 — — EP disclosed
EP-1268425-B1 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2008-01-23 — — EP disclosed
WO-2007144128-A1 PYRROLIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-12-21 — — WO disclosed
US-7074782-B2 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-07-11 — — US disclosed
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-03-18 — — US disclosed
US-6689784-B2 CONTROLLING CELL APOPTOSIS VERTEX PHARMACEUTICALS INCORPORATED 2004-02-10 — — US disclosed
EP-1268425-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2003-01-02 — — EP disclosed
US-20020028803-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-03-07 — — US disclosed
WO-2001072707-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-10-04 — — WO disclosed
US-5232624-A Components of tilted smectic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 — — 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-12018048-B2 Anthelmintic depsipeptide compounds VIP, DNPEP, DPEP1 ALDH1A1 2924/4885LTA4H 360/4885LAP3 759/4885
US-20020028803-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 ALDH1A1 1692/4885LTA4H 1378/4885LAP3 1086/4885
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 ALDH1A1 1692/4885LTA4H 1378/4885LAP3 1086/4885
US-20200289514-A1 Novel Pyrazolo Pyrimidine Derivatives MMEL1, PPME1, CTSC ALDH1A1 3274/4885LTA4H 2311/4885LAP3 283/4885
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP ALDH1A1 2890/4885LTA4H 279/4885LAP3 884/4885

“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.