SCHEMBL1157518

SCHEMBL1157518

Nc1nc(C(=O)O)c(C(=O)OCC2c3ccccc3-c3ccccc32)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
COPS5 Q92905 2/20 0.38
EPHX2 P34913 1/20 0.38
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
FBP1 P09467 1/20 0.36
CASP3 P42574 1/20 0.35

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
SCHEMBL3594331 0.77 KMT2A (0.44) FABP5FABP7KMT2ACA1CA2
SCHEMBL28755697 0.75 FABP5 (0.45) FABP5FABP7KMT2ACA1CA2
SCHEMBL3591690 0.72 KMT2A (0.44) FABP5FABP7KMT2ACA1CA2
SCHEMBL346078 0.72 KMT2A (0.44) FABP5FABP7KMT2ACA1CA2
SCHEMBL31684010 0.72 FABP5 (0.55) ALDH1A1FABP5FABP7KMT2ASMN1; SMN2
SCHEMBL16381002 0.72 FABP5 (0.55) ALDH1A1FABP5FABP7KMT2ASMN1; SMN2
SCHEMBL1157567 0.71 FABP5 (0.49) ALDH1A1FABP5FABP7KMT2ACA1
SCHEMBL30662743 0.71 FABP5 (0.49) ALDH1A1FABP5FABP7KMT2ACA1
SCHEMBL3196917 0.71 KDM4E (0.46) ALDH1A1FABP5FABP7HSD17B10KMT2A
SCHEMBL27132550 0.70 KMT2A (0.44) FABP5FABP7KMT2ACA1CA2

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
US-20110039714-A1 Probes, Systems, and Methods for Drug Discovery VTVX HOLDINGS I LLC 2011-02-17 US disclosed
CN-1209361-C Hydantoin-containing glucokinase activators HOFFMANN LA ROCHE (CH) 2005-07-06 CN disclosed
CN-1533400-A Probes, system and methods for drug discovery ����˹̩����ҩ��˾ 2004-09-29 CN disclosed
EP-1383799-A1 PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY TransTech Pharma Inc. (US) 2004-01-28 EP disclosed
WO-2003084997-A1 PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY TRANSTECH PHARMA, INC. (US) 2003-10-16 WO disclosed
US-20030125315-A1 Probes, systems, and methods for drug discovery TRANSTECH PHARMA, INC. 2003-07-03 US disclosed
CN-1427838-A Hydantoin-containing glucokinase activators HOFFMANN LA ROCHE (CH) 2003-07-02 CN 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-20030125315-A1 Probes, systems, and methods for drug discovery ABCG2, EZR, PAICS ALDH1A1 458/4885CYP1A2 1119/4885FABP5 1747/4885

“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.