SCHEMBL3589541

SCHEMBL3589541

CC(Cc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.47
SIGMAR1 Q99720 4/20 0.47
SLC6A2 P23975 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC18A2 Q05940 1/20 0.44
CYP2D6 P10635 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TRPA1 O75762 1/20 0.42

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
SCHEMBL21378558 1.00 TAAR1 (0.47) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL22441312 1.00 TAAR1 (0.47) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL7987728 0.86 TAAR1 (0.43) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL11039747 0.85 CA2 (0.42) KMT2A
SCHEMBL11848566 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL28572268 0.83 TRPA1 (0.44) MAOAKMT2APTGES2TRPA1
SCHEMBL492029 0.83 CYP24A1 (0.50) MEN1KMT2A
SCHEMBL3593823 0.83 NR3C1 (0.44) TAAR1MEN1KMT2ACYP2D6
SCHEMBL27467785 0.82 MEN1 (0.48) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL17372882 0.81 MEN1 (0.40) TAAR1SIGMAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 US disclosed
EP-3931183-B1 COMPOUNDS WITH FERROPTOSIS INDUCING ACTIVITY AND METHODS OF THEIR USE FERRO THERAPEUTICS INC (US) 2025-02-12 EP disclosed
WO-2024043334-A1 NOVEL PIPERAZINE DERIVATIVE OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION 富士フイルム株式会社 2024-02-29 WO disclosed
US-11453677-B2 Tricyclic compounds useful to treat orthomyxovirus infections NOVARTIS AG (CH) 2022-09-27 US disclosed
US-11370758-B2 IDO-TDO dual inhibitor and related methods of use CMG PHARMACEUTICAL CO., LTD. (KR) 2022-06-28 US disclosed
CN-114008024-A Compounds having iron death inducing activity and methods of using the same 费罗治疗公司 2022-02-01 CN disclosed
US-20220002280-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2022-01-06 US disclosed
US-11040964-B2 Compounds and methods of use Ferro Therapeutics, Inc. (US) 2021-06-22 US disclosed
US-20200299283-A1 COMPOUNDS AND METHODS OF USE BRIDGEBIO PHARMA, INC. 2020-09-24 US disclosed
US-20190292150-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE CMG PHARMACEUTICAL CO., LTD. (KR) 2019-09-26 US disclosed
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
EP-1278729-B1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GLAXOSMITHKLINE SPA (IT) 2005-11-09 EP disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
US-20040029917-A1 Benzosuberonylpiperdine compounds as analgesics GLAXOSMITHKLINE S.P.A. (IT) 2004-02-12 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US disclosed
EP-1278729-A1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GlaxoSmithKline S.p.A. (IT) 2003-01-29 EP disclosed
WO-2001083454-A1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GLAXOSMITHKLINE S.P.A. (IT) 2001-11-08 WO disclosed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP disclosed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 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 (10 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 TAAR1 44/4885SIGMAR1 50/4885SLC6A2 2274/4885
US-20220002280-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 TAAR1 4158/4885SIGMAR1 3033/4885SLC6A2 2628/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885SIGMAR1 2780/4885SLC6A2 269/4885
US-20190292150-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE IDO1, IDO2, TDO2 TAAR1 954/4885SIGMAR1 3513/4885SLC6A2 135/4885
US-20200299283-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 TAAR1 4158/4885SIGMAR1 3033/4885SLC6A2 2628/4885
US-20040029917-A1 Benzosuberonylpiperdine compounds as analgesics OPRK1, OPRL1, OPRM1 TAAR1 104/4885SIGMAR1 5/4885SLC6A2 1504/4885
US-11370758-B2 IDO-TDO dual inhibitor and related methods of use IDO1, IDO2, TDO2 TAAR1 954/4885SIGMAR1 3513/4885SLC6A2 135/4885
US-11040964-B2 Compounds and methods of use AIFM2, GPX4, GPX1 TAAR1 4158/4885SIGMAR1 3033/4885SLC6A2 2628/4885
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION ABCB11, ABCC1, SLC11A2 TAAR1 2444/4885SIGMAR1 197/4885SLC6A2 201/4885
US-11453677-B2 Tricyclic compounds useful to treat orthomyxovirus infections ZC3HAV1, OTC, THOP1 TAAR1 2013/4885SIGMAR1 804/4885SLC6A2 3183/4885

“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.