SCHEMBL1377567

SCHEMBL1377567

O=C(O)CCC(C[S+]([O-])c1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ FOLH1 Q04609 5/20 0.43
▸ NAALAD2 Q9Y3Q0 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1374813 0.86 CPA3 (0.43) CPA3FOLH1NAALAD2
SCHEMBL7610535 0.86 CPA3 (0.53) CPA3ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL1374283 0.78 CPA3 (0.59) CPA3ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL9322167 0.77 KEAP1 (0.43) CPA3ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL1373565 0.76 CPA3 (0.56) CPA3CYP1A2FOLH1NAALAD2MAPK1
SCHEMBL19506060 0.74 MMP2 (0.46) CYP1A2TSHRCYP2C19HSD17B10
SCHEMBL1374881 0.74 CPA3 (0.54) CPA3FOLH1MAPK1
SCHEMBL27852451 0.73 CYP2C19 (0.39) CPA3CYP1A2TSHRCYP2C19POLB
SCHEMBL5682990 0.73 MMP12 (0.44) CPA3CYP1A2TSHRCYP2C19POLB
SCHEMBL27166774 0.73 APAF1 (0.42) ALDH1A1CYP1A2TSHRKDM4EPOLB

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 95 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
JP-2002514185-A — — 2002-05-14 — — JP claimed
JP-2001521512-A — — 2001-11-06 — — JP claimed
EP-1019369-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2000-07-19 — — EP claimed
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 — — US claimed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 — — EP claimed
WO-1998045257-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-10-15 — — WO claimed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 — — WO 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
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
EP-4512426-A1 COMPOUND AND USE THEREOF Coherent Biopharma (Suzhou), Limited (CN) 2025-02-26 — — EP 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
EP-1019369-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2000-07-19 — — EP disclosed
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 — — US disclosed
WO-1998045257-A1 THIO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-10-15 — — 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 (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-20250108039-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885ALDH1A1 2843/4885CYP2D6 4633/4885
US-12496292-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 525/4885ALDH1A1 2843/4885CYP2D6 4633/4885
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors NAALAD2, DNPEP, DPP9 CPA3 193/4885ALDH1A1 736/4885CYP2D6 3489/4885
US-20250127939-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY VHL, PC, NPC1 CPA3 1830/4885ALDH1A1 1234/4885CYP2D6 2730/4885
US-20260007756-A1 COMPOUND AND USE THEREOF FOLH1, TRPV6, FOLR1 CPA3 217/4885ALDH1A1 3263/4885CYP2D6 1158/4885

“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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