SCHEMBL24838540

SCHEMBL24838540

COc1ccc2c(C)ccnc2c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.57
CCR5 P51681 2/20 0.57
CCR8 P51685 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.45
PSMD14 O00487 2/20 0.42
COPS5 Q92905 2/20 0.42
HTR1A P08908 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
TRPA1 O75762 3/20 0.35
GAA P10253 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL24010300 0.81 KDM4E (0.40) HTR1AADRA1DADRA1AADRA1BTRPA1
SCHEMBL8032037 0.80 CCR1 (0.69) CCR1CCR5CCR8L3MBTL1PSMD14
SCHEMBL20561953 0.79 CCR1 (0.57) CCR1CCR5CCR8L3MBTL1PSMD14
SCHEMBL26400628 0.79 KRAS (0.35) CCR1CCR5CCR8HTR1AADRA1D
SCHEMBL22280199 0.78 CCR1 (0.65) CCR1CCR5CCR8L3MBTL1PSMD14
SCHEMBL1337689 0.75 HTR1A (0.61) CCR1CCR5CCR8L3MBTL1PSMD14
SCHEMBL182930 0.74 CCR1 (1.00) CCR1CCR5CCR8L3MBTL1PSMD14
SCHEMBL29563986 0.74 CCR1 (1.00) CCR1CCR5CCR8L3MBTL1PSMD14
SCHEMBL20782661 0.73 PDGFRA (0.44) PDGFRBPDGFRATRPA1MEN1KMT2A
Hydrochloric Acid SCHEMBL20561936 0.73 CCR1 (0.49) CCR1CCR5CCR8L3MBTL1PSMD14

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
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 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 (2 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 CCR1 4554/4885CCR5 4263/4885CCR8 4424/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 CCR1 4554/4885CCR5 4263/4885CCR8 4424/4885

“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.