SCHEMBL4680908

SCHEMBL4680908

COc1ccc(-c2cccs2)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 12/20 0.57
PTPN1 P18031 1/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NR4A2 P43354 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 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
SCHEMBL4685813 0.87 NR4A2 (0.62) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6091965 0.83 TNFRSF1A (0.52) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6040654 0.83 TNFRSF1A (0.52) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6092023 0.82 TNFRSF1A (0.55) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL1307573 0.81 TUBB4A (0.69) TNFRSF1AKDM4EALDH1A1TUBB4ATUBB
SCHEMBL6093517 0.81 TNFRSF1A (0.53) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2769498 0.81 CFD (0.67) KDM4EALDH1A1KMT2ANPC1HPGD
SCHEMBL10024261 0.80 PTPN1 (0.55) PTPN1KDM4ENR4A2ERN1
SCHEMBL6110701 0.80 TNFRSF1A (0.70) TNFRSF1A
SCHEMBL5960645 0.79 TNFRSF1A (0.58) TNFRSF1AKDM4EALDH1A1MEN1KMT2A

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
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 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 (1 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-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 TNFRSF1A 4546/4885PTPN1 1631/4885KDM4E 2614/4885

“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.