SCHEMBL1587769

SCHEMBL1587769

COC(=O)c1ccc(C(=O)NCc2cc(C)on2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
EPHX2 P34913 1/20 0.45
PDE10A Q9Y233 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ROCK2 O75116 1/20 0.43
HPGD P15428 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL12529550 0.87 ADORA2A (0.50) RAB9ANPC1ADORA2AADORA1EPHX2
SCHEMBL12529799 0.84 RAB9A (0.56) RAB9ANPC1ADORA2AADORA1EPHX2
SCHEMBL12529419 0.81 RAB9A (0.46) RAB9ANPC1ADORA2AADORA1EPHX2
SCHEMBL1587490 0.79 SMN1; SMN2 (0.42) RAB9ANPC1EPHX2CYP1A2HPGD
SCHEMBL1587448 0.78 MAPT (0.44) CYP1A2CYP2C19HPGDMAPTALDH1A1
SCHEMBL1587633 0.76 ALDH1A1 (0.58) RAB9ANPC1ROCK2HPGDALDH1A1
SCHEMBL1587102 0.75 HDAC1 (0.43) HPGDALDH1A1PPARGNCOA2NPSR1
SCHEMBL13118303 0.74 NPC1 (0.60) RAB9ANPC1ADORA2AADORA1EPHX2
SCHEMBL2755867 0.74 EPHX2 (0.58) RAB9ANPC1ADORA2AADORA1EPHX2
SCHEMBL1587018 0.74 HPGD (0.67) RAB9ANPC1ADORA2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968542-B2 Thiophene compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-28 US disclosed
US-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-04-21 US disclosed
US-20090118500-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-05-07 US disclosed
EP-1904472-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2008-04-02 EP disclosed
WO-2007010954-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-01-25 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 (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-20090118500-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO RAB9A 2791/4885NPC1 3728/4885ADORA2A 536/4885
US-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO RAB9A 2791/4885NPC1 3728/4885ADORA2A 536/4885

“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.