SCHEMBL15601957

SCHEMBL15601957

CCCCCC(=O)N1CC(O)C(O)C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
GNAI3 P08754 9/20 0.53
GNAI1 P63096 9/20 0.53
GNAO1 P09471 8/20 0.53
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CHRNA6 Q15825 1/20 0.47
TRPV1 Q8NER1 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
SCHEMBL14845706 0.94 MEN1 (0.54) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL13097061 0.88 L3MBTL1 (0.60) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL21886617 0.88 L3MBTL1 (0.51) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL11466803 0.86 L3MBTL1 (0.58) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL10290423 0.86 L3MBTL1 (0.58) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL21140125 0.86 GNAI3 (0.53) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL16281802 0.86 L3MBTL1 (0.50) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL24208230 0.85 CHRNB2 (0.62) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL19154137 0.85 CHRNB2 (0.62) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL9908636 0.84 L3MBTL1 (0.47) L3MBTL1MEN1KMT2ATDP1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 US disclosed
US-8952050-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 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-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 L3MBTL1 3601/4885MEN1 4687/4885KMT2A 4313/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 L3MBTL1 3601/4885MEN1 4687/4885KMT2A 4313/4885

“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.