SCHEMBL600823

SCHEMBL600823

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.60
SIRT2 Q8IXJ6 2/20 0.59
SIRT1 Q96EB6 2/20 0.59
ITGB3 P05106 7/20 0.55
ITGAV P06756 3/20 0.55
CTSL P07711 2/20 0.55
CTSS P25774 1/20 0.55
TGM2 P21980 3/20 0.54
ECE1 P42892 1/20 0.53
ITGA2B P08514 4/20 0.52
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
CTSK P43235 1/20 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
SCHEMBL26641195 1.00 FOLH1 (0.60) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL19658555 1.00 FOLH1 (0.60) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL6841663 0.96 FOLH1 (0.58) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL7515531 0.96 FOLH1 (0.58) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL8387978 0.94 FOLH1 (0.65) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL18366279 0.92 HDAC1 (0.55) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL19659180 0.92 HDAC1 (0.55) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL10421088 0.91 FOLH1 (0.62) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL1111208 0.90 PPARA (0.55) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL1111209 0.90 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
CN-112979660-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-06-18 CN disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 CN disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 CN disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 WO disclosed
US-8735135-B2 Transformed strains originated from multidrug efflux protein defective strains and a method for microbial conversion using them MICROBIOPHARM JAPAN CO., LTD (JP) 2014-05-27 US disclosed
EP-2130907-B1 TRANSFORMED STRAIN DERIVED FROM STRAIN DEFICIENT IN MULTIDRUG EFFLUX PROTEIN, AND BIOCONVERSION METHOD USING THE SAME MICROBIOPHARM JAPAN CO LTD (JP) 2013-06-12 EP disclosed
US-20120040441-A1 TRANSFORMED STRAINS ORIGINATED FROM MULTIDRUG EFFLUX PROTEIN DEFECTIVE STRAINS AND A METHOD FOR MICROBIAL CONVERSION USING THEM MERCIAN CORPORATION (JP) 2012-02-16 US disclosed
EP-2130907-A1 TRANSFORMED STRAIN DERIVED FROM STRAIN DEFICIENT IN MULTIDRUG EFFLUX PROTEIN, AND BIOCONVERSION METHOD USING THE SAME MERCIAN CORPORATION (JP) 2009-12-09 EP disclosed
US-20040249205-A1 Process for producing hydroxyamino acid derivative MERCIAN CORPORATION (JP) 2004-12-09 US disclosed
WO-2004072047-A1 INDOLES, BENZIMIDAZOLES OR NAPHHIMIDAZOLES AS HISTONE DEACETYLASE (HDAC) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-26 WO disclosed
CN-1106001-A Lactol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-02 CN 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 (4 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-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 FOLH1 1770/4885SIRT2 1787/4885SIRT1 794/4885
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 FOLH1 4661/4885SIRT2 2284/4885SIRT1 1283/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 FOLH1 1770/4885SIRT2 1787/4885SIRT1 794/4885

“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.