SCHEMBL2768602

SCHEMBL2768602

Fc1c(F)c(F)c(NC(=S)Nc2noc3ccccc23)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
MAPT P10636 1/20 0.43
EPHX2 P34913 9/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KCNA5 P22460 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ3 P48549 1/20 0.38

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
SCHEMBL2771187 0.82 SMN1; SMN2 (0.61) TP53SMN1; SMN2MAPTEPHX2KMT2A
SCHEMBL2769319 0.81 ALDH1A1 (0.55) TP53SMN1; SMN2MAPTEPHX2KMT2A
SCHEMBL2768684 0.79 SMN1; SMN2 (0.51) TP53SMN1; SMN2MAPTEPHX2ESR1
SCHEMBL2767491 0.79 SMN1; SMN2 (0.49) TP53SMN1; SMN2MAPTEPHX2KMT2A
SCHEMBL2768259 0.76 EPHX2 (0.65) TP53SMN1; SMN2MAPTEPHX2KMT2A
SCHEMBL2772189 0.76 HIF1A (0.58) TP53SMN1; SMN2MAPTEPHX2KMT2A
SCHEMBL2771566 0.76 ALDH1A1 (0.50) TP53SMN1; SMN2MAPTEPHX2KMT2A
SCHEMBL2770755 0.76 EPHX2 (0.67) TP53SMN1; SMN2MAPTEPHX2KMT2A
SCHEMBL2768824 0.76 SMN1; SMN2 (0.57) TP53SMN1; SMN2MAPTEPHX2KMT2A
SCHEMBL2770657 0.76 EPHX2 (0.67) TP53SMN1; SMN2MAPTEPHX2KMT2A

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 TP53 4784/4885SMN1; SMN2 1349/4885MAPT 2492/4885

“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.