SCHEMBL3129088

SCHEMBL3129088

CSC(SC)=C(C#N)C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
MAPK1 P28482 4/20 0.67
RAB9A P51151 4/20 0.67
ALDH1A1 P00352 4/20 0.67
XBP1 P17861 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
LMNA P02545 1/20 0.67
NPC1 O15118 3/20 0.52
PKM P14618 1/20 0.52
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
RAPGEF3 O95398 7/20 0.43
RAPGEF4 Q8WZA2 6/20 0.43
HDAC1 Q13547 1/20 0.42
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
SRD5A2 P31213 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL10657128 0.86 ALDH1A1 (0.65) MAPTMAPK1RAB9AALDH1A1XBP1
SCHEMBL10655256 0.82 ALDH1A1 (0.73) MAPTMAPK1RAB9AALDH1A1XBP1
SCHEMBL2443924 0.81 NPSR1 (0.71) MAPTMAPK1RAB9AALDH1A1XBP1
SCHEMBL10651600 0.81 ALDH1A1 (0.71) MAPTMAPK1RAB9AALDH1A1XBP1
SCHEMBL1416827 0.80 ALDH1A1 (1.00) MAPTMAPK1RAB9AALDH1A1XBP1
SCHEMBL2741337 0.78 MAPT (0.82) MAPTMAPK1RAB9AALDH1A1XBP1
SCHEMBL7236948 0.78 MAPT (0.72) MAPTMAPK1RAB9AALDH1A1XBP1
SCHEMBL3401464 0.74 RAB9A (0.60) MAPTMAPK1RAB9AALDH1A1XBP1
SCHEMBL2853873 0.73 HDAC1 (0.64) MAPTMAPK1RAB9AALDH1A1LMNA
SCHEMBL7572160 0.73 ALDH1A1 (0.64) MAPTMAPK1RAB9AALDH1A1XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1706395-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 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 (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-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT MAPT 20/4885MAPK1 3842/4885RAB9A 2462/4885

“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.