SCHEMBL3045865

SCHEMBL3045865

Nc1ccccc1C(=O)Nc1ccc(CCCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.54
ABCB1 P08183 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
PTGS1 P23219 1/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
SLC6A3 Q01959 1/20 0.53
FFAR1 O14842 3/20 0.51

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
SCHEMBL5656684 0.95 MAPT (0.55) NR1H4ABCB1ABCG2PTGS1HDAC3
SCHEMBL31661665 0.95 MAPT (0.55) NR1H4ABCB1ABCG2PTGS1HDAC3
SCHEMBL27541341 0.92 PTGS1 (0.56) NR1H4ABCB1ABCG2PTGS1SMN1; SMN2
SCHEMBL5655206 0.87 HDAC1 (0.62) ABCB1ABCG2PTGS1HDAC3HDAC4
SCHEMBL6381563 0.85 ALOX15 (0.70) NR1H4HDAC3HDAC4HDAC1HDAC7
SCHEMBL13814819 0.84 SMN1; SMN2 (0.64) NR1H4HDAC3HDAC4HDAC1HDAC7
SCHEMBL13618529 0.84 FFAR1 (0.71) NR1H4HDAC3HDAC4HDAC1HDAC7
SCHEMBL13814814 0.84 MEN1 (0.63) NR1H4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5853912 0.83 FFAR1 (0.69) NR1H4ABCB1ABCG2PTGS1SMN1; SMN2
SCHEMBL28134734 0.83 ABCB1 (0.53) ABCB1ABCG2PTGS1SMN1; SMN2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370492-B2 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers EMISPHERE TECHNOLOGIES, INC. (US) 2016-06-21 US disclosed
US-7744910-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2010-06-29 US disclosed
US-20090281064-A1 SOLID PHARMACEUTICAL DOSAGE FORMS COMPRISING BISPHOSPHONATES AND MODIFIED AMINO ACID CARRIERS EMISPHERE TECHNOLOGIES, INC. (US) 2009-11-12 US disclosed
CN-1313439-C Compounds and compositions for delivery of active agents EMISPHERE TECH INC (US) 2007-05-02 CN disclosed
US-7186414-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC (US) 2007-03-06 US disclosed
US-20070049557-A1 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers EMISPHERE TECHNOLOGIES, INC. 2007-03-01 US disclosed
US-20070049557-A1 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers EMISPHERE TECHNOLOGIES, INC. 2007-03-01 US disclosed
US-20070010422-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-01-11 US disclosed
EP-1676832-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2006-07-05 EP disclosed
US-6991798-B1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-01-31 US disclosed
US-20050272638-A1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2005-12-08 US disclosed
CN-1315936-A Compounds and compositions for delivery of active agents EMISPHERE TECH INC (US) 2001-10-03 CN disclosed
EP-1102742-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2001-05-30 EP disclosed
WO-2000007979-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2000-02-17 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 (4 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-20090281064-A1 SOLID PHARMACEUTICAL DOSAGE FORMS COMPRISING BISPHOSPHONATES AND MODIFIED AMINO ACID CARRIERS SLC1A5, SLC7A5, SLC7A1 NR1H4 663/4885ABCB1 152/4885ABCG2 154/4885
US-20070010422-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS SERPINB1, ELANE, MMP8 NR1H4 836/4885ABCB1 153/4885ABCG2 69/4885
US-20050272638-A1 Compounds and compositions for delivering active agents SERPINB1, ELANE, MMP8 NR1H4 836/4885ABCB1 153/4885ABCG2 69/4885
US-20070049557-A1 Solid pharmaceutical dosage forms comprising bisphosphonates and modified amino acid carriers SLC1A5, SLC7A5, SLC7A1 NR1H4 682/4885ABCB1 153/4885ABCG2 156/4885

“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.