SCHEMBL25656137

SCHEMBL25656137

Cc1cc2nccc(N3CCCN(S(C)(=O)=O)CC3)c2cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
KDM4E B2RXH2 5/20 0.52
HTT P42858 3/20 0.52
NPSR1 Q6W5P4 5/20 0.48
PKM P14618 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHKA P35790 1/20 0.43
LMNA P02545 1/20 0.43
ATR Q13535 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
EHMT2 Q96KQ7 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
CLK1 P49759 1/20 0.40
NCF1 P14598 1/20 0.40

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
SCHEMBL25656031 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EHTTNPSR1PKM
SCHEMBL17368694 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EHTTNPSR1PKM
SCHEMBL25656106 0.79 ENPP1 (0.60) ALDH1A1KDM4ESMN1; SMN2LMNAATR
SCHEMBL23727300 0.75 ENPP1 (0.67) ALDH1A1KDM4EHTTNPSR1EHMT2
SCHEMBL16013832 0.75 ADRB2 (0.65) ALDH1A1KDM4EHTTNPSR1PKM
SCHEMBL25656138 0.74 NCF1 (0.62) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL23726492 0.72 NCF1 (0.53) ALDH1A1KDM4EHTTNPSR1MAPT
SCHEMBL25656116 0.71 ENPP1 (0.58) ALDH1A1KDM4ESMN1; SMN2LMNAATR
SCHEMBL29055071 0.70 NCF1 (0.53) ALDH1A1KDM4EMAPTEHMT2EHMT1
SCHEMBL5520194 0.69 PKM (0.51) ALDH1A1PKMALOX15CASP1HSD17B10

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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2023-06-15 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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF ENPP1, ENPP3, PPA1 ALDH1A1 2287/4885KDM4E 3611/4885HTT 3775/4885

“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.