Sugi Predict

Sugi Predict / Compounds / SCHEMBL500044

SCHEMBL500044

SCHEMBL500044

CC[C@H](C(=O)O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.54
▸ AKR1C2 P52895 3/20 0.54
▸ AKR1C1 Q04828 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PTGS2 P35354 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ TUBB4A P04350 2/20 0.44
▸ TUBB P07437 2/20 0.44
▸ TUBA3C P0DPH7 2/20 0.44
▸ TUBA1B P68363 2/20 0.44
▸ TUBA4A P68366 2/20 0.44
▸ TUBB4B P68371 2/20 0.44

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
SCHEMBL12499466 1.00 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL7166547 1.00 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL15804463 0.90 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL15762734 0.90 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL9719908 0.89 L3MBTL1 (0.46) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL15804442 0.86 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL20775229 0.86 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1PTGS1PTGS2
SCHEMBL20775230 0.86 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1PTGS1PTGS2
SCHEMBL24983762 0.86 L3MBTL1 (0.50) L3MBTL1MAPK1PTGS2KDM4EALDH1A1
SCHEMBL28776333 0.85 HTT (0.46) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121698736-A Synthesis method of (S) -2- (3, 4, 5-trimethoxyphenyl) butyric acid 上海毕得医药科技股份有限公司 2026-03-20 — — CN disclosed
CN-121698736-A Synthesis method of (S) -2- (3, 4, 5-trimethoxyphenyl) butyric acid 上海毕得医药科技股份有限公司 2026-03-20 — — CN disclosed
EP-3728189-A1 MULTIMERIC PIPERIDINE DERIVATIVES Bellicum Pharmaceuticals, Inc. (US) 2020-10-28 — — EP disclosed
US-20200308144-A1 Multimeric piperidine derivatives BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2020-10-01 — — US disclosed
US-20200308144-A1 Multimeric piperidine derivatives BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2020-10-01 — — US disclosed
US-9573934-B2 Methods and compositions for the synthesis of multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2017-02-21 — — US disclosed
US-9573934-B2 Methods and compositions for the synthesis of multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2017-02-21 — — US disclosed
US-9573934-B2 Methods and compositions for the synthesis of multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2017-02-21 — — US disclosed
US-9260710-B2 Photocleavable linker CITY OF HOPE (US) 2016-02-16 — — US disclosed
US-20150291950-A1 PHOTOCLEAVABLE LINKER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-15 — — US disclosed
US-20020161240-A1 Synthetic multimerizing agents ARIAD GENE THERAPEUTICS, INC. 2002-10-31 — — US disclosed
EP-1144655-A2 REGULATED EXPRESSION USING CONDITIONAL ER RETENTION DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 2001-10-17 — — EP disclosed
EP-1123405-A1 MATERIALS AND METHODS INVOLVING CONDITIONAL AGGREGATION DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 2001-08-16 — — EP disclosed
US-6150527-A Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2000-11-21 — — US disclosed
US-6133456-A DIMERS OF THE MACROCYCLIC NATURAL PRODUCT, FK506, COVALENTLY ATTACHED TO EACH OTHER VIA A SYNTHETIC LINKER MOIETY ARIAD GENE THERAPEUTICS, INC. (US) 2000-10-17 — — US disclosed
WO-2000023600-A1 MATERIALS AND METHODS INVOLVING CONDITIONAL AGGREGATION DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 2000-04-27 — — WO disclosed
WO-2000023602-A2 REGULATED EXPRESSION USING CONDITIONAL ER RETENTION DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 2000-04-27 — — WO disclosed
EP-0888303-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-01-07 — — EP disclosed
WO-1997031899-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERISING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 — — WO disclosed
WO-1997031898-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 — — 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 (3 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-20020161240-A1 Synthetic multimerizing agents SSB, F13B, LCP2 AKR1C3 4004/4885AKR1C2 4482/4885AKR1C1 4133/4885
US-20200308144-A1 Multimeric piperidine derivatives FKBP14, FKBP5, FKBP3 AKR1C3 4287/4885AKR1C2 4548/4885AKR1C1 4403/4885
US-20150291950-A1 PHOTOCLEAVABLE LINKER DCLRE1A, UACA, HMBS AKR1C3 3876/4885AKR1C2 3792/4885AKR1C1 3778/4885

“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.