SCHEMBL11912033

SCHEMBL11912033

O=C(NC(CO)C(=O)OCc1ccccc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ IDO1 P14902 2/20 0.53
▸ KMT2A Q03164 2/20 0.51
▸ MDM4 O15151 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ TNF P01375 1/20 0.49
▸ CASP3 P42574 2/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ TDO2 P48775 1/20 0.47

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
SCHEMBL13402442 1.00 HDAC1 (0.54) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL28527138 1.00 HDAC1 (0.54) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL29397673 1.00 HDAC1 (0.54) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL31000548 1.00 HDAC1 (0.54) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL29555721 0.91 HDAC1 (0.57) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL377964 0.91 HDAC1 (0.57) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL392598 0.91 HDAC1 (0.57) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL15982313 0.91 HDAC1 (0.57) HDAC1HDAC2IDO1KMT2AMDM4
SCHEMBL16167663 0.90 CTSK (0.47) HDAC1HDAC2IDO1KMT2ATNF
SCHEMBL18718108 0.90 CASP3 (0.51) HDAC1HDAC2IDO1KMT2AMDM4

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
EP-3878836-A1 O-SUBSTITUTED SERINE DERIVATIVE PRODUCTION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-09-15 — — EP disclosed
CN-112479933-A Preparation method of N-fluorenylmethoxycarbonyl-3-chloro-alanine benzyl ester 吉尔生化(上海)有限公司 2021-03-12 — — CN disclosed
US-9956296-B2 Compounds containing a vascular disrupting agent INCANTHERA LTD (GB) 2018-05-01 — — US disclosed
US-9937267-B2 Methods of treating cancer using compounds containing a vascular disrupting agent INCANTHERA LTD (GB) 2018-04-10 — — US disclosed
US-20170266307-A1 Methods Of Treating Cancer Using Compounds Containing A Vascular Disrupting Agent ELLIPSES PHARMA LIMITED (GB) 2017-09-21 — — US disclosed
US-20160243252-A1 COMPOUNDS CONTAINING A VASCULAR DISRUPTING AGENT ELLIPSES PHARMA LIMITED (GB) 2016-08-25 — — US disclosed
US-9358303-B2 Compounds containing a vascular disrupting agent INCANTHERA LTD (GB) 2016-06-07 — — US disclosed
EP-2481428-B1 MMP activated vascular disrupting agents INCANTHERA LTD (GB) 2016-03-02 — — EP disclosed
EP-2134372-B1 MMP ACTIVATED VASCULAR DISRUPTING AGENTS INCANTHERA LTD (GB) 2016-02-24 — — EP disclosed
EP-2010556-B1 HOMOGENEOUS ERYTHROPOIETIN AND METHOD FOR THEIR PREPARATION SLOAN KETTERING INST CANCER (US) 2015-09-23 — — EP disclosed
US-20150196658-A1 Compounds Incanthera Ltd. 2015-07-16 — — US disclosed
US-8927486-B2 Compounds INCANTHERA LIMITED (GB) 2015-01-06 — — US disclosed
US-20140179592-A1 Compounds INCANTHERA LIMITED (GB) 2014-06-26 — — US disclosed
EP-2481429-A2 MMP Activated Vascular Disrupting Agents University of Bradford (GB) 2012-08-01 — — EP disclosed
EP-2481428-A2 MMP activated vascular disrupting agents University of Bradford (GB) 2012-08-01 — — EP disclosed
US-20110275554-A1 COMPOUNDS THE UNIVERSITY OF BRADFORD (GB) 2011-11-10 — — 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 (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-20150196658-A1 Compounds ADAM17, MMP3, MMP25 HDAC1 780/4885HDAC2 1311/4885IDO1 2922/4885
US-20170266307-A1 Methods Of Treating Cancer Using Compounds Containing A Vascular Disrupting Agent MMP10, MMP25, MMP26 HDAC1 468/4885HDAC2 812/4885IDO1 3594/4885
US-20160243252-A1 COMPOUNDS CONTAINING A VASCULAR DISRUPTING AGENT MMP10, MMP11, MMP3 HDAC1 658/4885HDAC2 1514/4885IDO1 3516/4885
US-20110275554-A1 COMPOUNDS ADAM17, MMP3, MMP25 HDAC1 780/4885HDAC2 1311/4885IDO1 2922/4885
US-20140179592-A1 Compounds MMP9, MMP3, MMP10 HDAC1 498/4885HDAC2 820/4885IDO1 2456/4885

“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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