SCHEMBL7051453

SCHEMBL7051453

CCOC(=O)C1CSCN1C(=O)CCl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACE P12821 2/20 0.35
FKBP1A P62942 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
MAPT P10636 2/20 0.33
CACNA1A O00555 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNB1 Q02641 1/20 0.32

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
SCHEMBL27970157 0.84 NPSR1 (0.46) ALDH1A1ACENPSR1HSD17B10DPP4
SCHEMBL9362241 0.77 ACE (0.51) ALDH1A1ACE
SCHEMBL9724032 0.77 KMT2A (0.38) ALDH1A1POLBSMN1; SMN2ACE
SCHEMBL9724034 0.77 KMT2A (0.50) ALDH1A1POLBSMN1; SMN2ACEHSD17B10
SCHEMBL9724038 0.76 KMT2A (0.39) ALDH1A1SMN1; SMN2ACENPSR1HSD17B10
SCHEMBL9724030 0.76 POLB (0.36) ALDH1A1POLBSMN1; SMN2ACENPSR1
SCHEMBL1021746 0.76 CNR2 (0.37) ALDH1A1ACE
SCHEMBL5743175 0.76 CNR2 (0.37) ALDH1A1ACE
SCHEMBL9724043 0.74 TSHR (0.42) ALDH1A1SMN1; SMN2DPP4MAPT
SCHEMBL9724045 0.73 KMT2A (0.61) ALDH1A1POLBHTTSMN1; SMN2MAPT

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-1304101-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications Torrent Pharmaceuticals Ltd (IN) 2003-04-23 EP disclosed
US-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications TORRENT PHARMACEUTICALS LTD. 2002-08-01 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-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications PNPO, PRDX5, PLPBP ALDH1A1 662/4885POLB 715/4885HTT 3647/4885

“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.