SCHEMBL2683604

SCHEMBL2683604

COC(=O)c1sc(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.49
SLC6A4 P31645 1/20 0.49
TP53 P04637 3/20 0.46
MDM2 Q00987 1/20 0.46
KDM4E B2RXH2 5/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2682815 0.87 TP53 (0.48) SLC6A3SLC6A4TP53MDM2KDM4E
SCHEMBL476323 0.85 KDM4E (0.39) TP53MDM2KDM4EMAPTNPC1
SCHEMBL476241 0.78 TP53 (0.41) SLC6A3SLC6A4TP53MDM2KDM4E
SCHEMBL3556612 0.76 KDM4E (0.47) SLC6A3SLC6A4TP53MDM2KDM4E
SCHEMBL2682560 0.75 TP53 (0.48) SLC6A3SLC6A4TP53MDM2KDM4E
SCHEMBL6872798 0.73 TRPM8 (0.51) TP53KDM4EMAPTLMNAGAA
SCHEMBL12482976 0.72 GRM6 (0.49) SLC6A3SLC6A4TP53KDM4EMAPT
SCHEMBL2698949 0.71 GRM6 (0.43) SLC6A3SLC6A4TP53KDM4EMAPT
SCHEMBL3556990 0.70 GABRA2 (0.45) SLC6A3TP53MDM2KDM4EMAPT
SCHEMBL2158435 0.69 OPRD1 (0.55) SLC6A3SLC6A4TP53KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486971-B2 Derivatives of 3-alkoxy-4,5-diarylthiophene-2-carboxamide, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-07-16 US disclosed
US-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 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-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF HRH4, HCRTR1, NR3C1 SLC6A3 888/4885SLC6A4 1546/4885TP53 4362/4885

“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.