SCHEMBL2136589

SCHEMBL2136589

COC(=O)c1cc(C2CCCN2)sc1C.O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
RECQL P46063 2/20 0.38
CYP2D6 P10635 2/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SLC6A3 Q01959 6/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.34
PKM P14618 1/20 0.34
APEX1 P27695 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
DHFR P00374 1/20 0.33

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
SCHEMBL2136340 0.84 FUCA1 (0.36) LMNASLC6A3KDM4E
SCHEMBL2707575 0.74 PRKAB2 (0.38) BLM
SCHEMBL8156441 0.67 TP53 (0.54) TSHRTP53RECQLCYP2D6LMNA
SCHEMBL9994333 0.67 TP53 (0.56) TSHRTP53RECQLCYP2D6LMNA
SCHEMBL15067567 0.67 TP53 (0.56) TSHRTP53RECQLCYP2D6LMNA
SCHEMBL28150719 0.67 TSHR (0.96) TSHRTP53RECQLCYP2D6LMNA
Methyl Alcohol SCHEMBL29466887 0.65 TSHR (0.92) TSHRTP53RECQLCYP2D6LMNA
SCHEMBL14117921 0.65 TSHR (1.00) TSHRTP53RECQLCYP2D6LMNA
SCHEMBL223030 0.65 TSHR (1.00) TSHRTP53RECQLCYP2D6LMNA
SCHEMBL11886503 0.65 TSHR (1.00) TSHRTP53RECQLCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2012-04-26 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-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF GCK, GCKR, HK2 TSHR 523/4885TP53 4348/4885RECQL 1756/4885

“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.