SCHEMBL25433489

SCHEMBL25433489

CC(C)(C)[S@@+]([O-])N=C1CCc2c(Cl)cccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.45
BCHE P06276 1/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
HTR1A P08908 2/20 0.30
HTR7 P34969 2/20 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
SCHEMBL25433484 1.00 GPR3 (0.45) GPR3BCHECYP19A1CYP11B1CYP11B2
SCHEMBL30502846 1.00 GPR3 (0.45) GPR3BCHECYP19A1CYP11B1CYP11B2
SCHEMBL26890525 1.00 GPR3 (0.45) GPR3BCHECYP19A1CYP11B1CYP11B2
SCHEMBL31207903 1.00 GPR3 (0.45) GPR3BCHECYP19A1CYP11B1CYP11B2
SCHEMBL31207882 1.00 GPR3 (0.45) GPR3BCHECYP19A1CYP11B1CYP11B2
SCHEMBL2166284 0.82 GPR3 (0.45) GPR3
SCHEMBL2166549 0.82 GPR3 (0.45) GPR3
SCHEMBL1876278 0.82 GPR3 (0.45) GPR3
SCHEMBL2166282 0.82 GPR3 (0.45) GPR3
SCHEMBL2166290 0.82 GPR3 (0.45) GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624052-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2026-05-12 US disclosed
US-20250042921-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2025-02-06 US disclosed
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
WO-2023154766-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-08-17 WO 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 (4 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-20250042921-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS GPR3 177/4885BCHE 4676/4885CYP19A1 4219/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS GPR3 152/4885BCHE 4667/4885CYP19A1 4083/4885
US-12624052-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS GPR3 139/4885BCHE 4543/4885CYP19A1 3644/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS GPR3 152/4885BCHE 4667/4885CYP19A1 4083/4885

“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.