SCHEMBL20339608

SCHEMBL20339608

O=C(O)c1ccc(-c2cccc(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 4/20 0.75
▸ DUSP22 Q9NRW4 1/20 0.71
▸ PTPN1 P18031 12/20 0.68
▸ ENPP2 Q13822 1/20 0.65
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ATM Q13315 1/20 0.58
▸ ACP1 P24666 2/20 0.58
▸ PTPN2 P17706 1/20 0.56
▸ POLB P06746 1/20 0.56

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
SCHEMBL20339606 1.00 NLRP3 (0.75) NLRP3DUSP22PTPN1ENPP2MEN1
SCHEMBL20339998 0.92 NLRP3 (0.81) NLRP3DUSP22PTPN1MEN1KMT2A
SCHEMBL20340001 0.92 NLRP3 (0.81) NLRP3DUSP22PTPN1MEN1KMT2A
SCHEMBL20339359 0.83 NLRP3 (0.61) NLRP3DUSP22PTPN1ENPP2PTPN2
SCHEMBL20339662 0.83 NLRP3 (0.61) NLRP3DUSP22PTPN1ENPP2PTPN2
SCHEMBL20339361 0.83 NLRP3 (0.61) NLRP3DUSP22PTPN1ENPP2PTPN2
SCHEMBL20348907 0.82 MEN1 (0.66) NLRP3DUSP22PTPN1ENPP2MEN1
SCHEMBL12177336 0.82 PTPN1 (0.74) NLRP3PTPN1ENPP2ACP1PTPN2
SCHEMBL20339740 0.81 NLRP3 (0.61) NLRP3DUSP22PTPN1ENPP2PTPN2
SCHEMBL20339741 0.81 NLRP3 (0.61) NLRP3DUSP22PTPN1ENPP2PTPN2

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-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 — — US disclosed
WO-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 — — 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 (1 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-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS ITGA1, ITGA4, ITGA2 NLRP3 1510/4885DUSP22 3787/4885PTPN1 2325/4885

“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.

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