SCHEMBL31297331

SCHEMBL31297331

N=S(N)(=O)c1ccccc1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.37
CTSB P07858 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CA2 P00918 8/20 0.34
CA1 P00915 7/20 0.34
CA9 Q16790 6/20 0.34
GBA1 P04062 1/20 0.34
CA12 O43570 4/20 0.34
CA7 P43166 3/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA14 Q9ULX7 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 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
SCHEMBL2470118 0.86 CA2 (0.44) CTSBCA2CA1CA9CA12
SCHEMBL3811042 0.79 CA1 (0.42) CTSBCA2CA1CA9CA12
SCHEMBL8078639 0.79 MYC (0.40) CTSBHTR1AADRA2AADRA2BADRA2C
SCHEMBL6019444 0.71 CA1 (0.41) CTSBCA2CA1CA9CA12
SCHEMBL20680983 0.70 CA2 (0.40) SLC6A4CA2CA1CA9CA12
SCHEMBL6019475 0.68 EED (0.50) KMT2A
SCHEMBL31297330 0.68 PTGES2 (0.35) CA2CA1CA9CA4CA6
SCHEMBL2051705 0.67 HSPA5 (0.52) CA2CA9CA12
SCHEMBL1722278 0.67 CYP3A4 (0.39) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL21962272 0.67 CYP2A13 (0.53) CTSBCA2MEN1KMT2ACYP2C9

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-20240382474-A1 ENPP1 MODULATORS AND USES THEREOF VIR BIOTECHNOLOGY INC (US) 2024-11-21 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-20240382474-A1 ENPP1 MODULATORS AND USES THEREOF ENPP1, ENPP2, ENPP3 SLC6A4 2946/4885CTSB 2784/4885HTR1A 2788/4885

“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.