SCHEMBL3751898

SCHEMBL3751898

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccc(NC(=O)N4CCOCC4)c3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PRKDC P78527 1/20 0.42
GAK O14976 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPY5R Q15761 3/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL3757637 0.95 KDM4E (0.48) NPC1RAB9APRKDCGAKCYP2C9
SCHEMBL16161666 0.95 POLB (0.42) NPC1RAB9APRKDCGAKCYP2C9
SCHEMBL3751903 0.94 NPC1 (0.41) NPC1RAB9APRKDCGAKCYP2C9
SCHEMBL3763545 0.91 RAB9A (0.46) NPC1RAB9APRKDCALDH1A1KDM4E
SCHEMBL3766528 0.91 PRKDC (0.52) NPC1RAB9APRKDCPOLBALDH1A1
SCHEMBL3769608 0.90 PRKDC (0.40) NPC1RAB9APRKDCGAKPOLB
SCHEMBL3759018 0.90 ROCK1 (0.40) NPC1RAB9APRKDCGAKPOLB
SCHEMBL3765924 0.90 PIK3CA (0.44) NPC1RAB9APRKDCHSD17B10ALDH1A1
SCHEMBL3763361 0.90 PRKDC (0.42) NPC1RAB9APRKDC
SCHEMBL3760075 0.90 PRKDC (0.42) NPC1RAB9APRKDCHSD17B10

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 713/4885PRKDC 112/4885

“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.