SCHEMBL2769801

SCHEMBL2769801

CCOC(=O)CCN(S)C(=O)Nc1noc2cccc(OCC(F)(F)F)c12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SGMS2 Q8NHU3 7/20 0.34
SGMS1 Q86VZ5 4/20 0.34
NMT2 O60551 3/20 0.33
NMT1 P30419 3/20 0.33
MLYCD O95822 1/20 0.33
KCNA5 P22460 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
SYK P43405 1/20 0.32
UGCG Q16739 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL2768890 0.82 ALDH1A1 (0.34) NPC1RAB9ASMN1; SMN2
SCHEMBL2767898 0.81 NPC1 (0.37) NPC1RAB9ASMN1; SMN2SGMS2SGMS1
SCHEMBL2767552 0.79 KCNA5 (0.36) SGMS2SGMS1KCNA5HCRTR2UGCG
SCHEMBL3560647 0.78 KCNA5 (0.36) SMN1; SMN2SGMS2SGMS1KCNA5HCRTR2
SCHEMBL2786528 0.78 HIF1A (0.36) SGMS2SGMS1KCNA5UGCG
Cyclohexane SCHEMBL2442882 0.78 KCNA5 (0.39) SMN1; SMN2SGMS2SGMS1KCNA5UGCG
Cyclopropane SCHEMBL2441865 0.78 KCNA5 (0.39) SMN1; SMN2SGMS2SGMS1KCNA5UGCG
SCHEMBL2771751 0.77 TP53 (0.39) NPC1RAB9ASMN1; SMN2SGMS2SGMS1
SCHEMBL2439003 0.75 KDM4E (0.42) SGMS2SGMS1KCNA5UGCG
SCHEMBL2442656 0.74 KCNA5 (0.40) SMN1; SMN2SGMS2SGMS1KCNA5UGCG

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 NPC1 2230/4885RAB9A 3127/4885SMN1; SMN2 1349/4885

“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.