SCHEMBL654985

SCHEMBL654985

O=C(O)CCc1cccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
NPC1 O15118 2/20 0.58
CYP2C19 P33261 1/20 0.55
HPGD P15428 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
TAAR1 Q96RJ0 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
MCL1 Q07820 1/20 0.50
RAB9A P51151 1/20 0.50
FFAR1 O14842 1/20 0.49
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49

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
Hydrochloric Acid SCHEMBL9699973 0.98 POLB (0.64) POLBTDP1NPC1CYP2C19HPGD
Trifluoroacetic Acid SCHEMBL27502765 0.91 TDP1 (0.57) POLBTDP1NPC1CYP2C19HPGD
SCHEMBL28899113 0.91 NPC1 (0.67) POLBTDP1NPC1CYP2C19HPGD
SCHEMBL338927 0.88 NPC1 (0.68) POLBTDP1NPC1CYP2C19HPGD
Isobutyramide SCHEMBL28394293 0.87 POLB (0.53) POLBTDP1NPC1CYP2C19HPGD
SCHEMBL2400084 0.86 NPC1 (0.70) POLBTDP1NPC1CYP2C19HPGD
Hydrochloric Acid SCHEMBL11633870 0.86 NPC1 (0.66) POLBTDP1NPC1CYP2C19HPGD
SCHEMBL7332254 0.85 TAAR1 (0.54) POLBTDP1NPC1CYP2C19HPGD
SCHEMBL4368662 0.85 NPC1 (0.68) POLBTDP1NPC1CYP2C19HPGD
SCHEMBL4365322 0.85 NPC1 (0.68) POLBTDP1NPC1CYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698456-B Synthesis method of 2, 3-dihydrothiochromen-4-one and derivatives thereof 重庆医药高等专科学校 2021-05-14 CN claimed
CN-110127869-B Environment-friendly neutral scale and corrosion inhibitor for oil extraction and preparation method thereof 黑龙江益瑞化工有限公司 2020-10-09 CN claimed
WO-2009055631-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-30 WO claimed
US-20040127724-A1 3-heteroarylalkyl substituted GABA analogs YUEN PO-WAI (US) 2004-07-01 US claimed
JP-2003500486-A 2003-01-07 JP claimed
EP-1185524-A2 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS WARNER-LAMBERT COMPANY (US) 2002-03-13 EP claimed
WO-2000073296-A2 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS WARNER-LAMBERT COMPANY (US) 2000-12-07 WO claimed
US-5574016-A Peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-12 US claimed
EP-0124407-B1 PROCESS FOR THE PREPARATION OF ALKANOIC ACIDS SOCIETE FRANCAISE HOECHST Société anonyme dite: (FR) 1989-08-23 EP claimed
US-4515970-A Process for preparation of alkanoic acids SOCIETE FRANCAISE HOECHST (FR) 1985-05-07 US claimed
US-12552757-B2 NRF2-activating compound SENJU PHARMACEUTICAL CO., LTD. (JP) 2026-02-17 US disclosed
US-12440444-B2 Matrix bound vesicles (MBVS) containing IL-33 and their use University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-10-14 US disclosed
CN-114763346-B Compounds for inducing cartilage formation and application thereof 华东师范大学 2025-06-10 CN disclosed
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2025-06-05 US disclosed
CN-119319248-B Silver-coated copper powder and preparation method thereof, conductive paste and printed RFID tag 浙江码尚科技股份有限公司 2025-04-01 CN disclosed
US-4159986-A ANALGESICS, ANTIINFLAMMATORY AGENTS ROUSSEL UCLAF (FR) 1979-07-03 US disclosed
US-4127665-A ALDOSE REDUCTASE INHIBITORS, TREATMENT OF CHROMIC DIABETIC COMPLICATIONS PFIZER INC. (US) 1978-11-28 US disclosed
US-4097485-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1978-06-27 US disclosed
US-4086241-A Benzothiazolylimidazolidinone esters of furyl and thienyl substituted acids VELSICOL CHEMICAL CORPORATION (US) 1978-04-25 US disclosed
US-4061648-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-12-06 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 (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-20040127724-A1 3-heteroarylalkyl substituted GABA analogs GABRB3, GABRB1, GABRB2 POLB 2802/4885TDP1 2634/4885NPC1 2019/4885
US-12552757-B2 NRF2-activating compound NFE2L2, NFE2, KEAP1 POLB 1619/4885TDP1 3895/4885NPC1 714/4885
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG POLB 4851/4885TDP1 4630/4885NPC1 260/4885

“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.