SCHEMBL26400830

SCHEMBL26400830

CC(C)C(=O)N1CCS(=N)(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.32
MAPT P10636 2/20 0.32
MET P08581 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.31
MTNR1B P49286 1/20 0.31
HSD17B10 Q99714 1/20 0.30
GLA P06280 1/20 0.30
NAMPT P43490 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1911537 0.83 RAB9A (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22753493 0.77 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4546617 0.77 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL674660 0.77
SCHEMBL24010073 0.76 CYP1A2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22519439 0.75 RAB9A (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24837310 0.75 POLB (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL188546 0.73 CYP1A2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1106510 0.72 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4546653 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 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 (3 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 CHRNB2 2646/4885CHRNA3 3361/4885CHRNA4 3985/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS CHRNB2 4138/4885CHRNA3 4195/4885CHRNA4 4580/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS CHRNB2 4138/4885CHRNA3 4195/4885CHRNA4 4580/4885

“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.