SCHEMBL19486247

SCHEMBL19486247

CC[C@H](Oc1ccc(C(=N)N)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
PPARG P37231 5/20 0.53
PPARA Q07869 5/20 0.53
PRSS1 P07477 8/20 0.53
PRSS2 P07478 3/20 0.53
PRSS3 P35030 3/20 0.53
TMPRSS15 P98073 2/20 0.49
F2 P00734 1/20 0.47
PLAU P00749 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
CPN1 P15169 1/20 0.46
CPB2 Q96IY4 1/20 0.46
F10 P00742 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
TMPRSS2 O15393 1/20 0.46

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
SCHEMBL19489229 1.00 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARAPRSS1PRSS2
SCHEMBL19486253 1.00 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARAPRSS1PRSS2
SCHEMBL19486255 0.89 PPARG (0.57) SMN1; SMN2PPARGPPARAPRSS1PRSS2
SCHEMBL7115360 0.89 PPARG (0.57) SMN1; SMN2PPARGPPARAPRSS1PRSS2
SCHEMBL19486248 0.89 PPARG (0.57) SMN1; SMN2PPARGPPARAPRSS1PRSS2
SCHEMBL1532659 0.89 SMN1; SMN2 (0.59) SMN1; SMN2PPARGPPARA
SCHEMBL19481617 0.85 PPARG (0.45) SMN1; SMN2PPARGPPARAPRSS1PRSS2
SCHEMBL19481593 0.85 PPARG (0.45) SMN1; SMN2PPARGPPARAPRSS1PRSS2
SCHEMBL2231218 0.85 SMN1; SMN2 (0.63) SMN1; SMN2PPARGPPARA
SCHEMBL8770352 0.84 NPC1 (0.49) SMN1; SMN2PRSS1PRSS2PRSS3F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2017-10-19 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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS DDOST, LBR, STS SMN1; SMN2 2168/4885PPARG 1390/4885PPARA 670/4885

“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.