SCHEMBL3405860

SCHEMBL3405860

O=C1NC(=S)SC1=Cc1cc(F)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 4/20 0.71
▸ NAT1 P18440 4/20 0.66
▸ GSK3B P49841 2/20 0.62
▸ MYC P01106 1/20 0.60
▸ MAX P61244 1/20 0.60
▸ CISD1 Q9NZ45 3/20 0.56
▸ MAOB P27338 2/20 0.54
▸ CRHBP P24387 2/20 0.53
▸ CRHR2 Q13324 2/20 0.53
▸ PLA2G1B P04054 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ CDC7 O00311 1/20 0.53
▸ PLK4 O00444 1/20 0.53
▸ DAPK3 O43293 1/20 0.53
▸ DYRK3 O43781 1/20 0.53
▸ PRKD3 O94806 1/20 0.53
▸ MAP4K4 O95819 1/20 0.53
▸ PRKCG P05129 1/20 0.53
▸ CDK1 P06493 1/20 0.53

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
SCHEMBL13616173 1.00 PTP4A3 (0.71) PTP4A3NAT1GSK3BMYCMAX
SCHEMBL3405858 1.00 PTP4A3 (0.71) PTP4A3NAT1GSK3BMYCMAX
SCHEMBL18102940 0.89 NAT1 (0.66) PTP4A3NAT1GSK3BMYCMAX
SCHEMBL13499577 0.86 NAT1 (0.64) PTP4A3NAT1GSK3BMYCMAX
SCHEMBL18102943 0.86 PTP4A3 (0.75) PTP4A3NAT1GSK3BMYCMAX
SCHEMBL14464055 0.83 PTP4A3 (0.71) PTP4A3NAT1GSK3BMYCMAX
SCHEMBL8174040 0.83 PTP4A3 (0.71) PTP4A3NAT1GSK3BMYCMAX
SCHEMBL8174037 0.83 PTP4A3 (0.71) PTP4A3NAT1GSK3BMYCMAX
SCHEMBL18102858 0.83 PTP4A3 (0.75) PTP4A3NAT1GSK3BMYCMAX
SCHEMBL14464056 0.83 PTP4A3 (1.00) PTP4A3NAT1GSK3BMYCMAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 — — US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — US disclosed
WO-2016154255-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2016-09-29 — — WO disclosed
EP-2250167-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS Chlorion Pharma, Inc. (CA) 2010-11-17 — — EP disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — US disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — US disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — US disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 — — WO disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 — — 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 (3 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR PTP4A3 1188/4885NAT1 80/4885GSK3B 4008/4885
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 PTP4A3 4245/4885NAT1 867/4885GSK3B 1070/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 PTP4A3 4245/4885NAT1 867/4885GSK3B 1070/4885

“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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