SCHEMBL20339632

SCHEMBL20339632

O=C(O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.71
▸ NLRP3 Q96P20 4/20 0.69
▸ DUSP22 Q9NRW4 1/20 0.68
▸ PTPN22 Q9Y2R2 1/20 0.56
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ POLB P06746 2/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ NSD2 O96028 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.55
▸ APOBEC3G Q9HC16 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ ALOX12 P18054 1/20 0.54

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
SCHEMBL20339633 1.00 PTPN1 (0.71) PTPN1NLRP3DUSP22PTPN22MEN1
SCHEMBL12177374 0.89 PTPN1 (0.61) PTPN1NLRP3DUSP22PTPN22
SCHEMBL6742419 0.86 NLRP3 (0.54) PTPN1NLRP3DUSP22PTPN22MEN1
SCHEMBL6742422 0.86 NLRP3 (0.54) PTPN1NLRP3DUSP22PTPN22MEN1
SCHEMBL20339998 0.82 NLRP3 (0.81) PTPN1NLRP3DUSP22MEN1KMT2A
SCHEMBL20340001 0.82 NLRP3 (0.81) PTPN1NLRP3DUSP22MEN1KMT2A
SCHEMBL20339693 0.81 PTPN1 (0.67) PTPN1NLRP3DUSP22MEN1KMT2A
SCHEMBL20339691 0.81 PTPN1 (0.67) PTPN1NLRP3DUSP22MEN1KMT2A
SCHEMBL12177737 0.80 ENPP2 (0.58) PTPN1NLRP3PTPN22MAPK1MAPT
SCHEMBL13056341 0.80 PTPN22 (0.70) PTPN1PTPN22MEN1KMT2APOLB

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-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 — — US disclosed
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
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 PTPN1 2325/4885NLRP3 1510/4885DUSP22 3787/4885

“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.

Send feedback