SCHEMBL1377642

SCHEMBL1377642

O=C(O)CCC(CN(O)C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.53
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
FOLH1 Q04609 5/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR4A2 P43354 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL1374228 0.87 CPA3 (0.42) CPA3ALDH1A1CYP2D6CYP1A2CYP2C19
SCHEMBL2368499 0.85 CPA3 (0.50) CPA3TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL1374778 0.79 CPA3 (0.58) CPA3CYP1A2FOLH1NAALAD2
SCHEMBL2368874 0.79 CPA3 (0.54) CPA3FOLH1MAPK1MAPTNAALAD2
SCHEMBL1373532 0.78 CPA3 (0.56) CPA3FOLH1MAPK1NAALAD2
SCHEMBL2368373 0.77 CPA3 (0.55) CPA3TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL1377574 0.76 ALOX5 (0.58) CPA3MAPK1MAPT
SCHEMBL2368738 0.74 CPA3 (0.51) CPA3FOLH1MAPK1MAPT
SCHEMBL29014495 0.73 TSHR (0.72) CPA3TSHRALDH1A1CYP2D6CYP1A2
SCHEMBL1377637 0.73 FOLH1 (0.50) CYP1A2FOLH1NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973731-B1 HYDROXAMIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2002-08-28 EP claimed
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
US-20010044459-A1 Hydroxamic acid derivatives JACKSON PAUL F (US) 2001-11-22 US claimed
JP-2001519809-A 2001-10-23 JP claimed
EP-0973731-A1 HYDROXAMIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2000-01-26 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-1998045256-A1 HYDROXAMIC ACID DERIVATIVES 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-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2023-11-02 US disclosed
US-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2023-09-21 US disclosed
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2023-08-08 US disclosed
US-11369590-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2022-06-28 US disclosed
US-11318121-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2022-05-03 US disclosed
US-20010044459-A1 Hydroxamic acid derivatives JACKSON PAUL F (US) 2001-11-22 US disclosed
US-6271245-B1 INHIBITORS OF N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME FOR TREATING GLUTAMATE ABNORMALITY (EPILEPSY, STROKE, ALZHEIMER'S DISEASE, SCHIZOPHRENIA, PAIN, ISCHMIA, PARKINSON'S AND HUNTINGTON'S) AND PROSTATE CANCER GUILFORD PHARMACEUTICALS, INC. 2001-08-07 US disclosed
EP-0973731-A1 HYDROXAMIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2000-01-26 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-1998045256-A1 HYDROXAMIC ACID DERIVATIVES 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 (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-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885TSHR 3006/4885ALDH1A1 2843/4885
US-11369590-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 525/4885TSHR 3006/4885ALDH1A1 2843/4885
US-11318121-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 525/4885TSHR 3006/4885ALDH1A1 2843/4885
US-20010044459-A1 Hydroxamic acid derivatives NAALAD2, DNPEP, NAAA CPA3 469/4885TSHR 4466/4885ALDH1A1 423/4885
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 525/4885TSHR 3006/4885ALDH1A1 2843/4885
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885TSHR 3006/4885ALDH1A1 2843/4885

“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.