SCHEMBL3761880

SCHEMBL3761880

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccc(NC(=O)C4CCCC4)c3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PRKDC P78527 1/20 0.42
EPHX2 P34913 1/20 0.41
GBA1 P04062 1/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PTPN1 P18031 1/20 0.39
DYRK1A Q13627 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
SCHEMBL3760240 0.92 PTPN1 (0.44) ALDH1A1HPGDTSHRPRKDCEPHX2
SCHEMBL16161821 0.89 GAA (0.46) ALDH1A1TSHRPRKDCEPHX2LMNA
SCHEMBL3766528 0.88 PRKDC (0.52) ALDH1A1PRKDCMAPTHTTPOLB
SCHEMBL3759194 0.87 L3MBTL1 (0.43) ALDH1A1PRKDCGLALMNAMAPT
SCHEMBL3765924 0.86 PIK3CA (0.44) ALDH1A1HPGDPRKDCEPHX2MAPT
SCHEMBL3751898 0.86 NPC1 (0.46) ALDH1A1HPGDPRKDCLMNAMAPT
SCHEMBL3760075 0.86 PRKDC (0.42) PRKDCHSD17B10
SCHEMBL3763361 0.86 PRKDC (0.42) PRKDC
SCHEMBL3759355 0.86 PRKDC (0.41) ALDH1A1PRKDCSMN1; SMN2
SCHEMBL3763545 0.85 RAB9A (0.46) ALDH1A1PRKDCLMNAMAPTHTT

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 ALDH1A1 3061/4885HPGD 3366/4885TSHR 1753/4885

“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.