SCHEMBL1310180

SCHEMBL1310180

COc1ccc(CC(NC(=O)C(Cc2c[nH]cn2)NC(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.56
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CA2 P00918 1/20 0.52
ITGB3 P05106 3/20 0.50
ITGA2B P08514 2/20 0.50
ITGB1 P05556 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA5 P08648 1/20 0.50
KLKB1 P03952 2/20 0.49
GPR139 Q6DWJ6 1/20 0.48

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
SCHEMBL1310175 1.00 PTPN1 (0.56) PTPN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10522885 0.90 ACE (0.52) PTPN1CA2KMT2AGPR132CTSL
SCHEMBL9830731 0.88 CA2 (0.54) PTPN1CA2ITGB3ITGA2BITGB1
SCHEMBL9830744 0.88 CA2 (0.54) PTPN1CA2ITGB3ITGA2BITGB1
SCHEMBL7374762 0.86 MMP3 (0.43) HDAC8CA2ITGB3ITGA2BITGAV
SCHEMBL4373170 0.85 PTPN1 (0.65) PTPN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1310656 0.84 ACE (0.48) PTPN1CA2ITGB3ITGA2BITGB1
SCHEMBL1310658 0.84 ACE (0.48) PTPN1CA2ITGB3ITGA2BITGB1
SCHEMBL18684873 0.83 MC4R (0.45) PTPN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20450400 0.83 MC4R (0.48) PTPN1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342194-B1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2018-08-08 EP disclosed
US-9630949-B2 Oxoazetidine derivatives, process for the preparation thereof and use thereof in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-04-25 US disclosed
US-20150045559-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-02-12 US disclosed
US-8871187-B2 Oxoazetidine derivatives, process for the preparation thereof and use thereon in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-10-28 US disclosed
US-20110274638-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREON IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-10 US disclosed
EP-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP disclosed
WO-2010052253-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 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-20110274638-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREON IN HUMAN MEDICINE AND IN COSMETICS CYP2D6, CYP51A1, CYP2C19 PTPN1 3252/4885HDAC3 4844/4885HDAC4 4344/4885
US-20150045559-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS CYP51A1, TYR, CYP2C19 PTPN1 3224/4885HDAC3 4747/4885HDAC4 4005/4885

“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.