SCHEMBL646058

SCHEMBL646058

COC(=O)C(CO)NC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CYP2C9 P11712 2/20 0.56
THRB P10828 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CNR2 P34972 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL646059 1.00 ALDH1A1 (0.56) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL7097974 0.88 POLB (0.52) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL4156603 0.88 ATM (0.65) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL4156601 0.88 ATM (0.65) ALDH1A1CYP2C9THRBCYP2C19HSD17B10
SCHEMBL1974909 0.86 HTT (0.61) ALDH1A1CNR2LMNASMN1; SMN2
SCHEMBL10660589 0.86 ALDH1A1 (0.51) ALDH1A1CNR2L3MBTL1POLBCTSL
SCHEMBL646257 0.86 CNR2 (0.54) ALDH1A1CNR2L3MBTL1POLBCTSL
SCHEMBL7453658 0.86 CNR2 (0.54) ALDH1A1CNR2L3MBTL1POLBCTSL
SCHEMBL644992 0.86 CNR2 (0.54) ALDH1A1CNR2L3MBTL1POLBCTSL
SCHEMBL2324112 0.86 CNR2 (0.54) ALDH1A1CNR2L3MBTL1POLBCTSL

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-8119375-B2 Method for the production of ramipril SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-02-21 US disclosed
US-7846951-B2 Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
US-20090017509-A1 METHOD FOR THE PRODUCTION OF RAMIPRIL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-01-15 US disclosed
US-20090018140-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-01-15 US disclosed
US-20090018140-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-01-15 US disclosed
US-7407976-B2 Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-05 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-20090018140-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1101/4885CYP2C9 1658/4885THRB 741/4885
US-20090017509-A1 METHOD FOR THE PRODUCTION OF RAMIPRIL REN, PDE8B, PDE3A ALDH1A1 460/4885CYP2C9 140/4885THRB 3196/4885

“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.