SCHEMBL10073060

SCHEMBL10073060

COc1ccc(CCNC(=O)COc2ccc(OC(F)(F)F)cc2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
LMNA P02545 2/20 0.71
PKM P14618 1/20 0.71
ALDH1A1 P00352 4/20 0.61
MAPT P10636 3/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 1/20 0.60
RXFP1 Q9HBX9 1/20 0.59
PTGER1 P34995 1/20 0.57
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
PTPN1 P18031 1/20 0.56

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
SCHEMBL23788290 0.89 LTA4H (0.63) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL24355629 0.86 LMNA (0.93) SMN1; SMN2LMNAPKMALDH1A1MAPT
SCHEMBL4027064 0.85 SMN1; SMN2 (0.87) SMN1; SMN2LMNAPKMALDH1A1MAPT
SCHEMBL3351879 0.79 CA12 (0.68) SMN1; SMN2LMNAPKMALDH1A1MAPT
SCHEMBL1581250 0.78 MAPT (0.56) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL15970740 0.76 KMT2A (0.63) SMN1; SMN2LMNAPKMALDH1A1MAPT
SCHEMBL4026040 0.76 KMT2A (0.79) SMN1; SMN2LMNAPKMALDH1A1MAPT
SCHEMBL29591107 0.76 KMT2A (0.79) SMN1; SMN2LMNAPKMALDH1A1MAPT
SCHEMBL1968355 0.76 CA12 (0.66) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL4022887 0.75 KMT2A (0.87) SMN1; SMN2LMNAALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 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 (3 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-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 SMN1; SMN2 3617/4885LMNA 1873/4885PKM 3693/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 SMN1; SMN2 3617/4885LMNA 1873/4885PKM 3693/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 SMN1; SMN2 3617/4885LMNA 1873/4885PKM 3693/4885

“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.