SCHEMBL20448902

SCHEMBL20448902

[CH2]c1ccccc1S(C)(=N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.34
DRD2 P14416 1/20 0.34
GAA P10253 1/20 0.33
NR3C2 P08235 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
KEAP1 Q14145 1/20 0.32
BCAT2 O15382 1/20 0.31
HTR6 P50406 3/20 0.31
NPC1 O15118 1/20 0.30
MTOR P42345 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
SCHEMBL95810 0.81 BCAT2 (0.40) PLCG1DRD2GAANR3C2CA1
SCHEMBL20156922 0.74 TSHR (0.41) GAAKEAP1
SCHEMBL20149699 0.74 TSHR (0.41) GAAKEAP1
SCHEMBL20507084 0.74 DRD1 (0.33) PLCG1GAANR3C2CA1CA2
SCHEMBL2538620 0.73 PSIP1 (0.48) PLCG1DRD2GAANR3C2CA1
SCHEMBL17843308 0.73 CA2 (0.52) GAACA1CA2CA4CA6
SCHEMBL2291531 0.73 KAT6A (0.43)
SCHEMBL30727277 0.73 HSD11B1 (0.47) GAACYP2C9CYP1A2
SCHEMBL14007555 0.73 GAA (0.60) GAACA1CA2CA4CA6
SCHEMBL29465525 0.73 KAT6A (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 US disclosed
US-20180273525-A1 Fused Pyridine Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-09-27 US disclosed
EP-3356367-A1 FUSED PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2018-08-08 EP disclosed
EP-3356365-A1 FUSED PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2018-08-08 EP 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-20180273525-A1 Fused Pyridine Derivatives As Kinase Inhibitors PI4KA, PI4KB, PI4K2B PLCG1 79/4885DRD2 4426/4885GAA 3354/4885
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB PLCG1 109/4885DRD2 4764/4885GAA 4122/4885

“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.