SCHEMBL8510030

SCHEMBL8510030

O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.70
CA2 P00918 4/20 0.70
CA1 P00915 3/20 0.67
ACE P12821 2/20 0.63
CTSL P07711 1/20 0.60
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PYGL P06737 1/20 0.58
ALDH1A1 P00352 1/20 0.58
UBASH3B Q8TF42 1/20 0.58
ITGB1 P05556 1/20 0.58
ITGA4 P13612 1/20 0.58
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GPR132 Q9UNW8 1/20 0.56

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
SCHEMBL1305154 1.00 PTPN1 (0.70) PTPN1CA2CA1ACECTSL
SCHEMBL27679107 0.94 CTSL (0.64) PTPN1CA2CA1ACECTSL
SCHEMBL4359915 0.94 CTSL (0.64) PTPN1CA2CA1ACECTSL
SCHEMBL4369316 0.93 CTSL (0.63) PTPN1CA2CA1ACECTSL
SCHEMBL7904964 0.93 CA2 (0.69) PTPN1CA2CA1ACEITGB1
SCHEMBL7900484 0.93 CA2 (0.69) PTPN1CA2CA1ACEITGB1
SCHEMBL22604693 0.90 CA2 (0.62) PTPN1CA2CA1ACECTSL
SCHEMBL111236 0.89 ACE (0.76) PTPN1CA2CA1ACECTSL
SCHEMBL528464 0.89 ACE (0.76) PTPN1CA2CA1ACECTSL
SCHEMBL111235 0.89 ACE (0.76) PTPN1CA2CA1ACECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135810-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS INC (US) 2019-05-09 US claimed
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS, INC. 2012-05-31 US claimed
CN-102459263-A Process for the preparation of substituted tetrahydro beta-carbolines PTC THERAPEUTICS INC 2012-05-16 CN claimed
US-10947231-B2 Processes for the preparation of substituted tetrahydro beta-carbolines PTC THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
US-20190135810-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS INC (US) 2019-05-09 US disclosed
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS, INC. 2012-05-31 US disclosed
CN-102459263-A Process for the preparation of substituted tetrahydro beta-carbolines PTC THERAPEUTICS INC 2012-05-16 CN disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
US-4250183-A GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-02-10 US disclosed
EP-0003056-A1 N-substituted omega-aminoalkanoyl-omega-aminoalkanecarboxylic acids, their application and process for their preparation, and medicines containing these compounds Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1979-07-25 EP 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-10947231-B2 Processes for the preparation of substituted tetrahydro beta-carbolines TPH1, TPH2, HTR1B PTPN1 4806/4885CA2 2089/4885CA1 1196/4885
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition CYP7A1, UGT1A1, CYP2F1 PTPN1 1827/4885CA2 3246/4885CA1 2107/4885
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES TPH1, TPH2, HTR1B PTPN1 4806/4885CA2 2162/4885CA1 1285/4885
US-20190135810-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES TPH1, TPH2, HTR1B PTPN1 4806/4885CA2 2089/4885CA1 1196/4885

“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.