SCHEMBL938496

SCHEMBL938496

O=C(c1cc(-c2ccccc2)sc1Cl)N1CCCOCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.52
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
PLAUR Q03405 4/20 0.48
HTT P42858 1/20 0.47
CNR1 P21554 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PRKDC P78527 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RIPK1 Q13546 1/20 0.45
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL939333 0.89 TSHR (0.54) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL12911836 0.87 TSHR (0.52) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL12911846 0.87 TSHR (0.52) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL12911849 0.82 CHEK1 (0.50) ALDH1A1TSHRHTTNPC1RAB9A
SCHEMBL12911852 0.81 CHEK1 (0.60) ALDH1A1TSHRLMNAHTTNPC1
SCHEMBL12911870 0.81 CHEK1 (0.46) ALDH1A1TSHRSMN1; SMN2HSD17B10KMT2A
SCHEMBL937964 0.79 CHEK1 (0.43) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL16750163 0.79 CHEK1 (0.45) ALDH1A1TSHRHTTNPC1RAB9A
SCHEMBL12911840 0.78 CHEK1 (0.46) ABCC1ALDH1A1TSHRCNR1NPC1
SCHEMBL12911839 0.78 HIF1A (0.46) ALDH1A1TSHRLMNAHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
US-8614209-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2013-12-24 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
EP-2283004-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2011-02-16 EP disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 WO disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 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-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 ABCC1 229/4885ALDH1A1 328/4885TSHR 1857/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 ABCC1 229/4885ALDH1A1 328/4885TSHR 1857/4885

“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.