SCHEMBL2137146

SCHEMBL2137146

CCC[C@@H](NCC)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.51
ALDH1A1 P00352 5/20 0.49
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
TACR1 P25103 1/20 0.45
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 3/20 0.44
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CTSB P07858 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2137853 1.00 CTSK (0.51) CTSKALDH1A1CTSLCTSSTACR1
Hydrochloric Acid SCHEMBL2137149 0.98 CTSK (0.50) CTSKALDH1A1CTSLCTSSTACR1
Hydrochloric Acid SCHEMBL2137140 0.98 CTSK (0.50) CTSKALDH1A1CTSLCTSSTACR1
Hydrochloric Acid SCHEMBL2137848 0.98 CTSK (0.50) CTSKALDH1A1CTSLCTSSTACR1
SCHEMBL2137673 0.88 ALDH1A1 (0.51) CTSKALDH1A1CTSLCTSSTACR1
SCHEMBL2135261 0.88 ALDH1A1 (0.51) CTSKALDH1A1CTSLCTSSTACR1
SCHEMBL10420678 0.88 CTSK (0.53) CTSKALDH1A1CTSLCTSSTACR1
SCHEMBL2135267 0.88 ALDH1A1 (0.51) CTSKALDH1A1CTSLCTSSTACR1
SCHEMBL20959692 0.87 ALDH1A1 (0.45) CTSKALDH1A1CTSLCTSSTACR1
SCHEMBL25645317 0.86 CTSK (0.52) CTSKALDH1A1CTSLCTSSTACR1

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
EP-2447265-A1 NOVEL THIOPHENE CARBOXAMIDE DERIVATIVE AND MEDICINAL USE OF SAME Sanwa Kagaku Kenkyusho Co., Ltd (JP) 2012-05-02 EP disclosed
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 CTSK 618/4885ALDH1A1 2623/4885CTSL 1992/4885

“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.