SCHEMBL3751903

SCHEMBL3751903

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccc(NC(=O)N4CCNCC4)c3)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 2/20 0.40
USP2 O75604 1/20 0.40
GAK O14976 1/20 0.40
PRKDC P78527 1/20 0.39
POLB P06746 2/20 0.38
PIK3CA P42336 3/20 0.37
PIK3R1 P27986 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.35
NPY5R Q15761 1/20 0.35
MTOR P42345 1/20 0.35
PRMT6 Q96LA8 1/20 0.35

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
SCHEMBL3751898 0.94 NPC1 (0.46) NPC1RAB9AALDH1A1CYP2C19GAK
SCHEMBL3759356 0.93 GAK (0.38) NPC1RAB9AALDH1A1CYP2C19CYP2D6
SCHEMBL3757637 0.91 KDM4E (0.48) NPC1RAB9AALDH1A1CYP2C19USP2
SCHEMBL16161666 0.91 POLB (0.42) NPC1RAB9AALDH1A1CYP2C19USP2
SCHEMBL3766528 0.87 PRKDC (0.52) NPC1RAB9AALDH1A1PRKDCPOLB
SCHEMBL3769608 0.87 PRKDC (0.40) NPC1RAB9AALDH1A1GAKPRKDC
SCHEMBL3759018 0.86 ROCK1 (0.40) NPC1RAB9AALDH1A1GAKPRKDC
SCHEMBL3763545 0.86 RAB9A (0.46) NPC1RAB9AALDH1A1PRKDCPIK3CA
SCHEMBL3765924 0.86 PIK3CA (0.44) NPC1RAB9AALDH1A1PRKDCPIK3CA
SCHEMBL3763361 0.86 PRKDC (0.42) NPC1RAB9APRKDCPIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA NPC1 3855/4885RAB9A 713/4885ALDH1A1 3061/4885

“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.