SCHEMBL747058

SCHEMBL747058

O=C(Nc1nccs1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
POLB P06746 1/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
TP53 P04637 1/20 0.57
THRB P10828 1/20 0.57
HPGD P15428 1/20 0.57
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
PKM P14618 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
AURKA O14965 1/20 0.55
PIM1 P11309 1/20 0.55
CDK2 P24941 1/20 0.55
GSK3B P49841 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
GRIN2B Q13224 1/20 0.54

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
SCHEMBL27626566 0.89 GRIN2B (0.54) KDM4ESMN1; SMN2L3MBTL1POLBNPC1
SCHEMBL21495082 0.84 RAB9A (0.63) SMN1; SMN2L3MBTL1POLBNPC1RAB9A
SCHEMBL14379289 0.80 POLB (0.61) SMN1; SMN2POLBNPC1RAB9ATP53
SCHEMBL7868066 0.79 ANPEP (0.66) KDM4ESMN1; SMN2L3MBTL1PKMHDAC6
SCHEMBL7382201 0.78 ANPEP (0.71) KDM4ESMN1; SMN2L3MBTL1PKMHDAC6
SCHEMBL7420512 0.78 L3MBTL1 (0.49) KDM4ESMN1; SMN2L3MBTL1PKMHDAC6
SCHEMBL145495 0.78 RAB9A (0.65) KDM4ESMN1; SMN2L3MBTL1POLBNPC1
SCHEMBL4687548 0.78 FFAR2 (0.74) KDM4ESMN1; SMN2L3MBTL1POLBNPC1
SCHEMBL18640773 0.77 POLB (0.65) SMN1; SMN2POLBNPC1RAB9ATP53
SCHEMBL8366793 0.77 PKM (0.74) SMN1; SMN2L3MBTL1NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133235-B2 Macrocyclic antagonists of the motilin receptor for treatment of gastrointestinal dysmotility disorders OCERA THERAPEUTICS, INC. (US) 2015-09-15 US disclosed
CN-101528765-B Macrocyclic antagonists of the motilin receptor for treatment of gastrointestinal dysmotility disorders OCERA THERAPEUTICS INC 2015-04-22 CN disclosed
EP-2054429-B1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA INC (CA) 2013-11-06 EP disclosed
EP-2431380-A2 Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders Tranzyme Pharma, Inc. (US) 2012-03-21 EP disclosed
US-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2010-04-15 US disclosed
EP-2054429-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS Tranzyme Pharma, Inc. (US) 2009-05-06 EP disclosed
WO-2008033328-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA, INC. (US) 2008-03-20 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-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MLNR, GIPR, GPR39 KDM4E 4739/4885SMN1; SMN2 2066/4885L3MBTL1 1389/4885

“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.