SCHEMBL1832075

SCHEMBL1832075

CCC(CNCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.55
▸ CYP1A2 P05177 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ANPEP P15144 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PPARA Q07869 4/20 0.46
▸ ATM Q13315 1/20 0.46
▸ BCHE P06276 1/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ EPHX2 P34913 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL25187228 0.89 CYP1A2 (0.55) CYP1A2SMN1; SMN2ANPEPMEN1KMT2A
SCHEMBL27356033 0.87 SMN1; SMN2 (0.48) PPARGCYP1A2SMN1; SMN2ANPEPPOLB
SCHEMBL4992960 0.84 CYP1A2 (0.66) PPARGCYP1A2ANPEP
SCHEMBL12333260 0.84 SMN1; SMN2 (0.60) PPARGSMN1; SMN2ANPEPMEN1KMT2A
SCHEMBL7293687 0.81 SMN1; SMN2 (0.50) CYP1A2SMN1; SMN2ANPEPMEN1KMT2A
SCHEMBL25346616 0.80 SMN1; SMN2 (0.63) PPARGSMN1; SMN2ANPEPMEN1KMT2A
SCHEMBL1627443 0.79 SMN1; SMN2 (0.54) CYP1A2SMN1; SMN2ANPEPMEN1KMT2A
SCHEMBL11081034 0.79 APAF1 (0.54) CYP1A2SMN1; SMN2ANPEPMEN1KMT2A
SCHEMBL27929812 0.79 APAF1 (0.54) CYP1A2SMN1; SMN2ANPEPMEN1KMT2A
SCHEMBL12450939 0.79 APAF1 (0.54) CYP1A2SMN1; SMN2ANPEPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 — — EP disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 — — US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 — — US disclosed
US-8044078-B2 Amino-alkyl amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2011-10-25 — — US disclosed
EP-2318377-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-05-11 — — EP disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 — — US disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 — — WO disclosed
US-4785003-A N-disubstituted glycine and B-amino-propionic acid derivatives having anti-ulcer activity BIOMEASURE, INC. (US) 1988-11-15 — — US disclosed
US-4598067-A Antiulcer compounds BIOMEASURE, INC. (US) 1986-07-01 — — 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-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK PPARG 1862/4885CYP1A2 1791/4885SMN1; SMN2 1868/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK PPARG 1862/4885CYP1A2 1791/4885SMN1; SMN2 1868/4885

“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.

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