SCHEMBL3887366

SCHEMBL3887366

CSc1ccc(C(=O)Cc2ccnc(NC(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GBA1 P04062 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
CCR2 P41597 3/20 0.40
CYP17A1 P05093 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR3C2 P08235 3/20 0.36
RIOK2 Q9BVS4 1/20 0.36
SCN9A Q15858 1/20 0.36
ATR Q13535 1/20 0.36
GRIN2B Q13224 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL5202372 0.88 NR3C2 (0.47) IGF1RNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3888179 0.87 NR3C2 (0.46) IGF1RNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3892526 0.87 CCR2 (0.47) IGF1RNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5761933 0.86 CYP17A1 (0.49) IGF1RCCR2CYP17A1NR3C2RIOK2
SCHEMBL3900906 0.86 NR3C2 (0.46) IGF1RNPC1RAB9AMAPTCCR2
SCHEMBL3892560 0.86 NR3C2 (0.51) IGF1RNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3890118 0.85 NR3C2 (0.42) IGF1RNPC1RAB9ACCR2CYP17A1
SCHEMBL3894787 0.83 IGF1R (0.42) IGF1RNPC1RAB9ASMN1; SMN2CCR2
SCHEMBL5356933 0.83 IGF1R (0.43) IGF1RCCR2CYP17A1NR3C2RIOK2
SCHEMBL3888502 0.81 IGF1R (0.42) IGF1RCCR2CYP17A1NR3C2RIOK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 IGF1R 3974/4885NPC1 1275/4885RAB9A 958/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 IGF1R 693/4885NPC1 3921/4885RAB9A 1894/4885

“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.