SCHEMBL3239869

SCHEMBL3239869

CC(=O)Nc1ccc(C)c(NC(=O)C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
RECQL P46063 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
TNNI3 P19429 1/20 0.45

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
SCHEMBL2979786 0.92 CYP1A2 (0.55) L3MBTL1KMT2AALDH1A1LMNAMAPK1
SCHEMBL11599081 0.86 L3MBTL1 (0.64) L3MBTL1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL31725340 0.85 KMT2A (0.65) L3MBTL1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8716883 0.85 KMT2A (0.65) L3MBTL1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL13872957 0.83 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL11599074 0.81 L3MBTL1 (0.66) L3MBTL1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6314811 0.80 GAA (0.51) KMT2AALDH1A1LMNACYP1A2CYP2C19
SCHEMBL23885115 0.80 L3MBTL1 (0.60) L3MBTL1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL7079342 0.80 L3MBTL1 (0.60) L3MBTL1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL30254315 0.80 L3MBTL1 (0.60) L3MBTL1KMT2AALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 EP disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression MORIARTY KEVIN J 2005-10-27 US disclosed
US-6906067-B2 N-heterocyclic inhibitors of TNF-α expression BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-14 US disclosed
EP-1409463-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION Bristol-Myers Squibb Company (US) 2004-04-21 EP disclosed
WO-2003002542-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-01-09 WO disclosed
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression PHARMACEOPEIA, INC. 2002-09-26 US disclosed
EP-1242385-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2002-09-25 EP disclosed
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression PHARMACOPEIA, INC. 2002-05-30 US disclosed
WO-2001047897-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2001-07-05 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 (6 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-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, RELA, NFKBIA L3MBTL1 3895/4885KMT2A 3439/4885ALDH1A1 394/4885
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 L3MBTL1 3552/4885KMT2A 4245/4885ALDH1A1 2165/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 L3MBTL1 3552/4885KMT2A 4245/4885ALDH1A1 2165/4885
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA L3MBTL1 3659/4885KMT2A 3548/4885ALDH1A1 274/4885
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA L3MBTL1 3659/4885KMT2A 3548/4885ALDH1A1 274/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 L3MBTL1 3552/4885KMT2A 4245/4885ALDH1A1 2165/4885

“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.