SCHEMBL1374881

SCHEMBL1374881

O=C(O)CCC(C[S+]([O-])CCCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 1/20 0.54
▸ HDAC3 O15379 3/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC2 Q92769 3/20 0.49
▸ HDAC8 Q9BY41 3/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.49
▸ HDAC5 Q9UQL6 3/20 0.49
▸ HDAC4 P56524 2/20 0.49
▸ HDAC7 Q8WUI4 2/20 0.49
▸ HDAC10 Q969S8 2/20 0.49
▸ HDAC11 Q96DB2 2/20 0.49
▸ HDAC9 Q9UKV0 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPT P10636 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ GRIK1 P39086 1/20 0.45
▸ KEAP1 Q14145 1/20 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
SCHEMBL1373565 0.92 CPA3 (0.56) CPA3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1374283 0.83 CPA3 (0.59) CPA3FOLH1
SCHEMBL27834320 0.77 HDAC3 (0.46) CPA3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1377042 0.77 FOLH1 (0.43) MAPK1FOLH1
SCHEMBL7350860 0.76 CPA3 (0.71) CPA3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1377567 0.74 CPA3 (0.54) CPA3MAPK1FOLH1
SCHEMBL1374873 0.73 FOLH1 (0.46) HDAC1HDAC2ADRA1ASLC6A3FOLH1
SCHEMBL21973772 0.73 FOLH1 (0.56) CPA3HDAC3HDAC1HDAC2HDAC8
SCHEMBL776215 0.72 SIGMAR1 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28624427 0.71 CPA3 (0.55) CPA3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 — — US claimed
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 — — US claimed
US-20260007756-A1 COMPOUND AND USE THEREOF COHERENT BIOPHARMA SUZHOU LTD (CN) 2026-01-08 — — US disclosed
US-12496292-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2025-12-16 — — US disclosed
CN-113453720-B Dual ligand drug conjugate and uses thereof 同宜医药(苏州)有限公司 2025-05-06 — — CN disclosed
US-20250127939-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY PURDUE RESEARCH FOUNDATION 2025-04-24 — — US disclosed
EP-4541378-A2 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY Endocyte, Inc. (US) 2025-04-23 — — EP disclosed
US-20250108039-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2025-04-03 — — US disclosed
CN-116059392-B Ligand conjugate and application thereof 同宜医药(苏州)有限公司 2025-02-28 — — CN disclosed
EP-4512426-A1 COMPOUND AND USE THEREOF Coherent Biopharma (Suzhou), Limited (CN) 2025-02-26 — — EP disclosed
EP-3777898-B1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY ENDOCYTE INC (US) 2025-01-01 — — EP disclosed
US-7399743-B2 Targeted thrombosis THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-15 — — US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 — — WO disclosed
EP-1443954-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES Novartis Pharma GmbH (AT) 2004-08-11 — — EP disclosed
US-20040072815-A1 Antibiotic composition and method KOPPEL GARY A (US) 2004-04-15 — — US disclosed
US-20030194400-A1 Targeted thrombosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-16 — — US disclosed
WO-2003035688-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES NOVARTIS PHARMA GMBH (AT) 2003-05-01 — — WO disclosed
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-04-03 — — US disclosed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 — — US disclosed
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 — — 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 (6 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-20250108039-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885HDAC3 3339/4885HDAC1 2893/4885
US-12496292-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 525/4885HDAC3 3339/4885HDAC1 2893/4885
US-20040072815-A1 Antibiotic composition and method NAALAD2, NAAA, NRDC CPA3 2176/4885HDAC3 3440/4885HDAC1 1187/4885
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors NAALAD2, DNPEP, DPP9 CPA3 193/4885HDAC3 254/4885HDAC1 125/4885
US-20250127939-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY VHL, PC, NPC1 CPA3 1830/4885HDAC3 2590/4885HDAC1 3352/4885
US-20260007756-A1 COMPOUND AND USE THEREOF FOLH1, TRPV6, FOLR1 CPA3 217/4885HDAC3 3238/4885HDAC1 4078/4885

“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.

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