SCHEMBL2760898

SCHEMBL2760898

COC1CCN(C(=O)c2cc(C(=O)O)cc(-c3ccc(C)cc3)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
ACLY P53396 4/20 0.45
DHODH Q02127 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
KDM1A O60341 2/20 0.40
VNN1 O95497 2/20 0.39
PRMT5 O14744 1/20 0.39
P2RY14 Q15391 1/20 0.39

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
SCHEMBL1495765 0.84 DHODH (0.46) DHODHMEN1KMT2APROKR1KDM1A
SCHEMBL1495764 0.84 DHODH (0.46) DHODHMEN1KMT2APROKR1KDM1A
SCHEMBL15473451 0.82 KMT2A (0.57) PARP1PARP2HPGDMEN1KMT2A
SCHEMBL12947988 0.82 KMT2A (0.57) PARP1PARP2HPGDMEN1KMT2A
SCHEMBL1495725 0.79 DHODH (0.50) DHODHHPGDALDH1A1PROKR1P2RY14
SCHEMBL1495523 0.79 ROCK2 (0.46) PARP1PARP2ALDH1A1VNN1PRMT5
SCHEMBL2761212 0.79 DHODH (0.52) DHODHHPGDKMT2AALDH1A1KDM1A
SCHEMBL1495462 0.79 HPGD (0.55) DHODHHPGDMEN1KMT2AALDH1A1
SCHEMBL2760988 0.77 HPGD (0.58) DHODHHPGDMEN1KMT2AALDH1A1
SCHEMBL16418278 0.77 HPGD (0.58) DHODHHPGDMEN1KMT2AALDH1A1

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-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US claimed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP claimed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO claimed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO 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-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B PARP1 1883/4885PARP2 1845/4885ACLY 113/4885

“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.