SCHEMBL3031683

SCHEMBL3031683

O=C(NCc1cccc(B(O)O)c1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
USP2 O75604 1/20 0.55
PSMB5 P28074 1/20 0.53
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
PKM P14618 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ENPP2 Q13822 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3040337 0.94 ALDH1A1 (0.60) ALDH1A1HPGDUSP2PSMB5ERCC1
SCHEMBL3225765 0.79 ALDH1A1 (0.58) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL2470608 0.79 POLB (0.64) ALDH1A1HPGDUSP2POLBKMT2A
SCHEMBL15651624 0.79 ALDH1A1 (0.58) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL955708 0.78 ENPP2 (0.53) PSMB5NPSR1ENPP2KMT2A
SCHEMBL2469546 0.77 ALDH1A1 (0.86) ALDH1A1HPGDUSP2NPSR1KMT2A
SCHEMBL29675228 0.77 ALDH1A1 (0.86) ALDH1A1HPGDUSP2NPSR1KMT2A
SCHEMBL15652521 0.77 ALDH1A1 (0.59) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL5392713 0.77 ALDH1A1 (0.68) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL552530 0.76 ALDH1A1 (0.62) ALDH1A1HPGDUSP2ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4068/4885HPGD 2430/4885USP2 1493/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4068/4885HPGD 2430/4885USP2 1493/4885

“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.