SCHEMBL21201599

SCHEMBL21201599

CC(C)c1csc(Cn2ccccc2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.37
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
IDH1 O75874 1/20 0.33
ADRA1D P25100 4/20 0.33
ADRA1A P35348 4/20 0.33
ADRA1B P35368 3/20 0.33
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL21201583 0.81 POLB (0.44) POLBNPSR1TSHRKEAP1NFE2L2
SCHEMBL22672555 0.80
SCHEMBL23343606 0.78 POLB (0.42) POLBNPSR1TSHRPSMB1ADRA1D
SCHEMBL21527211 0.78 POLB (0.44) POLBNPSR1TSHRPSMB1PSMB5
SCHEMBL21419954 0.75 IDH1 (0.33) POLBTSHRPSMB1PSMB5IDH1
SCHEMBL17540820 0.74 POLB (0.54) POLBNPSR1KEAP1NFE2L2MAPT
SCHEMBL924028 0.70 TSHR (0.54) POLBNPSR1TSHRMAPTMEN1
SCHEMBL9609774 0.70 ALDH1A1 (0.49) POLBNPSR1PSMB1PSMB5NPC1
SCHEMBL20665412 0.69 POLB (0.44) POLBNPSR1TSHRKEAP1NFE2L2
SCHEMBL21169913 0.69 PRMT5 (0.44) POLBNPSR1KEAP1NFE2L2PSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198691-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-12-14 US disclosed
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-08-10 US disclosed
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-05-11 US disclosed
US-20200361923-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors DRI UK LP (KY) 2020-11-19 US disclosed
US-20200199116-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors DRI UK LP (KY) 2020-06-25 US disclosed
US-20190330200-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS KALLIKREIN INHIBITORS DRI UK LP (KY) 2019-10-31 US disclosed
US-20190300517-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Plasma Kallikrein Inhibitors DRI UK LP (KY) 2019-10-03 US disclosed
US-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-07-30 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 (8 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-20200199116-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 POLB 3726/4885NPSR1 400/4885TSHR 1247/4885
US-10364238-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 POLB 4140/4885NPSR1 372/4885TSHR 1196/4885
US-11198691-B2 N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 POLB 3726/4885NPSR1 400/4885TSHR 1247/4885
US-20190300517-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Plasma Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 POLB 3901/4885NPSR1 442/4885TSHR 1220/4885
US-20200361923-A1 N-((HET)Arylmethyl)-Heteroaryl-Carboxamides Compounds As Kallikrein Inhibitors KLKB1, BDKRB1, BDKRB2 POLB 3726/4885NPSR1 400/4885TSHR 1247/4885
US-20190330200-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 POLB 3726/4885NPSR1 400/4885TSHR 1247/4885
US-11001578-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 POLB 3901/4885NPSR1 442/4885TSHR 1220/4885
US-11084809-B2 N-((HET)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 POLB 3726/4885NPSR1 400/4885TSHR 1247/4885

“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.