SCHEMBL14058917

SCHEMBL14058917

CCCCNc1cccc(OC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NSD2 O96028 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRB P10828 1/20 0.45
HDAC4 P56524 1/20 0.44
MEF2D Q14814 1/20 0.44
GRK2 P25098 2/20 0.44
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA2 P00918 1/20 0.42
PLAU P00749 3/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41

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
SCHEMBL11129973 0.89 ALDH1A1 (0.55) MTNR1AMTNR1BALDH1A1KDM4ENSD2
SCHEMBL11118240 0.86 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1KDM4ENSD2
SCHEMBL11112342 0.86 SMN1; SMN2 (0.47) MTNR1AMTNR1BALDH1A1KDM4ENSD2
SCHEMBL12862491 0.84 CACNA1B (0.46) MTNR1AMTNR1BALDH1A1KDM4ENSD2
SCHEMBL12895716 0.83 HDAC4 (0.48) MTNR1AMTNR1BALDH1A1KDM4ENSD2
SCHEMBL12520413 0.83 MTNR1B (0.60) MTNR1AMTNR1BALDH1A1SMN1; SMN2PKM
SCHEMBL14149439 0.82 GAA (0.47) ALDH1A1KDM4EKMT2ASYKMAPT
SCHEMBL28044727 0.81 CYP1A2 (0.49) F2RMTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL8667014 0.79 F2R (0.56) F2RMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL7505384 0.79 MTNR1B (0.59) MTNR1AMTNR1BALDH1A1PKMHSD17B10

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-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
WO-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed
WO-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 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 (1 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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 F2R 4609/4885MTNR1A 4251/4885MTNR1B 3738/4885

“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.