SCHEMBL8513782

SCHEMBL8513782

O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.70
PTPN1 P18031 2/20 0.67
CA2 P00918 2/20 0.64
CA1 P00915 2/20 0.64
CTSL P07711 1/20 0.61
ACE P12821 4/20 0.60
NPSR1 Q6W5P4 1/20 0.57
GPR132 Q9UNW8 2/20 0.57
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 1/20 0.56
ECE1 P42892 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.54

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
SCHEMBL8513785 1.00 FPR2 (0.70) FPR2PTPN1CA2CA1CTSL
SCHEMBL5926493 0.93 PTPN1 (0.62) FPR2PTPN1CA2CA1CTSL
SCHEMBL3991795 0.93 PTPN1 (0.62) FPR2PTPN1CA2CA1CTSL
SCHEMBL17696754 0.89 HPGDS (0.65) FPR2PTPN1CA2CA1CTSL
SCHEMBL20484576 0.88 PTPN1 (0.55) FPR2PTPN1CA2CA1CTSL
SCHEMBL16452951 0.88 CA2 (0.66) FPR2PTPN1CA2CA1CTSL
SCHEMBL18620661 0.88 PTPN1 (0.55) FPR2PTPN1CA2CA1CTSL
SCHEMBL29619805 0.87 FPR2 (0.58) FPR2PTPN1CA2CA1CTSL
SCHEMBL29619797 0.87 FPR2 (0.58) FPR2PTPN1CA2CA1CTSL
SCHEMBL16452954 0.87 FPR2 (0.58) FPR2PTPN1CA2CA1CTSL

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 9 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
US-20240067950-A1 MEANS AND METHODS FOR DETOXIFYING OCHRATOXIN A DSM Austria GmbH (AT) 2024-02-29 US disclosed
EP-4263826-A2 MEANS AND METHODS FOR DETOXIFYING OCHRATOXIN A DSM Austria GmbH (AT) 2023-10-25 EP disclosed
WO-2022129517-A2 MEANS AND METHODS FOR DETOXIFYING OCHRATOXIN A ERBER AKTIENGESELLSCHAFT (AT) 2022-06-23 WO disclosed
CN-114645037-A Means and methods for detoxification of ochratoxin A 艾尔柏股份公司 2022-06-21 CN disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 FPR2 3980/4885PTPN1 4806/4885CA2 2089/4885
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES TPH1, TPH2, HTR1B FPR2 3990/4885PTPN1 4806/4885CA2 2162/4885
US-20190135810-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES TPH1, TPH2, HTR1B FPR2 3980/4885PTPN1 4806/4885CA2 2089/4885

“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.