SCHEMBL6841663

SCHEMBL6841663

O=C(N[C@@H](CCCO)C(=O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.58
▸ SIRT2 Q8IXJ6 1/20 0.57
▸ SIRT1 Q96EB6 1/20 0.57
▸ CTSL P07711 2/20 0.56
▸ CTSS P25774 1/20 0.56
▸ ITGB3 P05106 6/20 0.54
▸ ITGAV P06756 2/20 0.54
▸ PPARG P37231 1/20 0.53
▸ PPARA Q07869 1/20 0.53
▸ ITGA2B P08514 4/20 0.53
▸ CTSK P43235 2/20 0.52
▸ TACR1 P25103 2/20 0.52
▸ TGM2 P21980 2/20 0.52
▸ CTRB1 P17538 2/20 0.51

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
SCHEMBL7515531 1.00 FOLH1 (0.58) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL19658555 0.96 FOLH1 (0.60) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL26641195 0.96 FOLH1 (0.60) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL600823 0.96 FOLH1 (0.60) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL8387978 0.93 FOLH1 (0.65) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL10421088 0.93 FOLH1 (0.62) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL18405554 0.91 CTSL (0.56) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL7520841 0.91 CTSL (0.66) CTSLCTSSCTSKTACR1
SCHEMBL1111208 0.91 PPARA (0.55) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL1111209 0.91 PPARA (0.55) FOLH1SIRT2SIRT1CTSLCTSS

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 — — CN disclosed
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 — — US disclosed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 — — US disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 — — US disclosed
US-20040249205-A1 Process for producing hydroxyamino acid derivative MERCIAN CORPORATION (JP) 2004-12-09 — — US disclosed
EP-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 — — EP disclosed
EP-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 — — EP disclosed
EP-1133478-A1 NOVEL ACYLGUANIDINE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2001-09-19 — — EP disclosed
WO-2000031046-A1 NOVEL ACYLGUANIDINE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-06-02 — — WO disclosed
US-5753660-A Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-05-19 — — US disclosed
US-5747499-A CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-05-05 — — US disclosed
EP-0758328-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INTERNATIONAL LIMITED (GB) 1997-02-19 — — EP disclosed
US-5496834-A PEPTIDE DERIVATIVES AS CATHEPSIN L INHIBITORS AND INHIBITORS OF BONE RESORPTION OR TREATMENT OF OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-05 — — US disclosed
WO-1995030673-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-16 — — WO disclosed
EP-0641800-A1 Lactol derivatives as inhibiters of cathepsin L Takeda Chemical Industries, Ltd. (JP) 1995-03-08 — — EP disclosed
WO-1994012163-A1 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE ABBOTT LABORATORIES (US) 1994-06-09 — — 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 (2 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-20040249205-A1 Process for producing hydroxyamino acid derivative HAAO, HDGF, BCAT1 FOLH1 666/4885SIRT2 2496/4885SIRT1 3633/4885
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS TFPI, F12, F5 FOLH1 798/4885SIRT2 1162/4885SIRT1 569/4885

“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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