SCHEMBL4680391

SCHEMBL4680391

COS(=O)(=O)Cc1cc(-c2cc(F)c(F)c(F)c2)no1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.43
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 6/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 3/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 2/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOTUM Q6P988 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
SCHEMBL4683034 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL15859220 0.80 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL27605125 0.78 RAB9A (0.39) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL4683255 0.72 NOTUM (0.59) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL28545457 0.69 EPHX2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL31037002 0.68 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL27587165 0.65 MAPT (0.41) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL19987770 0.64 TP53 (0.33) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL28775148 0.64 CA12 (0.34) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL29108928 0.63 SMPD1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1LMNA

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-1437349-B9 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS S A L V A T LAB SA (ES) 2008-09-10 EP disclosed
EP-1437349-B1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS S A L V A T LAB SA (ES) 2007-08-15 EP disclosed
US-20050014806-A1 Substituted isoxazoles and their use as antibiotics LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2005-01-20 US disclosed
EP-1437349-A1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-07-14 EP 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-20050014806-A1 Substituted isoxazoles and their use as antibiotics XDH, SCO2, HAX1 SMN1; SMN2 3326/4885NPC1 1710/4885RAB9A 3410/4885

“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.