SCHEMBL2769338

SCHEMBL2769338

COc1cc(NC(=S)Nc2noc3cccc(OCC(F)(F)F)c23)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
GAA P10253 4/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 3/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
KCNA5 P22460 1/20 0.40
SGMS2 Q8NHU3 4/20 0.40
KMT2A Q03164 3/20 0.40
SGMS1 Q86VZ5 2/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
THRB P10828 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL2771745 0.87 ALDH1A1 (0.45) ALDH1A1GAARAB9AKDM4EMAPT
SCHEMBL2786526 0.82 PTGES (0.41) ALDH1A1GAARAB9AKDM4EMAPT
SCHEMBL2787572 0.80 MAPT (0.38) MAPTSMN1; SMN2KCNA5SGMS2KMT2A
SCHEMBL2769340 0.78 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2KCNA5KMT2A
SCHEMBL2767548 0.77 KCNA5 (0.36) MAPTSMN1; SMN2KCNA5SGMS2KMT2A
SCHEMBL2768423 0.77 EGFR (0.36) ALDH1A1GAARAB9AKDM4EMAPT
SCHEMBL2437982 0.77 S1PR1 (0.49) ALDH1A1GAARAB9AMAPTSMN1; SMN2
SCHEMBL2769842 0.76 MAPT (0.59) ALDH1A1GAARAB9AKDM4EMAPT
SCHEMBL2769617 0.76 KDR (0.53) ALDH1A1GAARAB9AMAPTSMN1; SMN2
SCHEMBL3560643 0.76 SGMS2 (0.37) KDM4ESMN1; SMN2KCNA5SGMS2SGMS1

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
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 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 (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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 ALDH1A1 1965/4885GAA 3898/4885RAB9A 3127/4885

“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.