SCHEMBL16477697

SCHEMBL16477697

C[C@@H](NC(=O)NC(C)(C)C)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.56
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
SSTR4 P31391 1/20 0.52
HDAC3 O15379 1/20 0.52
CYP2C9 P11712 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
TRPV1 Q8NER1 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49

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
SCHEMBL24575927 0.88 EPHX2 (0.64) EPHX2LMNAGAASSTR4HDAC3
SCHEMBL14025088 0.83 EPHX2 (0.60) EPHX2LMNAGAASSTR4HDAC3
SCHEMBL14004671 0.83 EPHX2 (0.60) EPHX2LMNAGAASSTR4HDAC3
SCHEMBL16480210 0.83 EPHX2 (0.60) EPHX2LMNAGAASSTR4HDAC3
SCHEMBL2692933 0.82 EPHX2 (0.59) EPHX2LMNAGAASSTR4HDAC3
SCHEMBL9514720 0.81 TRPV1 (0.57) EPHX2LMNAGAASSTR4TRPV1
SCHEMBL9513695 0.81 TRPV1 (0.57) EPHX2LMNAGAASSTR4TRPV1
SCHEMBL9515008 0.81 TRPV1 (0.57) EPHX2LMNAGAASSTR4TRPV1
SCHEMBL5106897 0.81 EPHX2 (0.55) EPHX2LMNAGAASSTR4HDAC3
SCHEMBL4885710 0.81 EPHX2 (0.55) EPHX2LMNAGAASSTR4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216950-B2 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-12-22 US disclosed
US-9090617-B1 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-07-28 US disclosed
US-20150191467-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME RAND BIOSCIENCES (KR) 2015-07-09 US disclosed
US-20140200239-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME NATIONAL TAIWAN UNIVERSITY (TW) 2014-07-17 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 (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-20150191467-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME SRC, PTPRCAP, GRB2 EPHX2 1893/4885LMNA 4875/4885GAA 3678/4885
US-20140200239-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME SRC, PTPRCAP, GRB2 EPHX2 1893/4885LMNA 4875/4885GAA 3678/4885

“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.