SCHEMBL19486255

SCHEMBL19486255

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.57
PPARA Q07869 7/20 0.57
PRSS1 P07477 7/20 0.50
TMPRSS15 P98073 3/20 0.50
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
F10 P00742 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
CPN1 P15169 1/20 0.43
CPB2 Q96IY4 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL19486248 1.00 PPARG (0.57) PPARGPPARAPRSS1TMPRSS15PRSS2
SCHEMBL7115360 1.00 PPARG (0.57) PPARGPPARAPRSS1TMPRSS15PRSS2
SCHEMBL19486253 0.89 SMN1; SMN2 (0.58) PPARGPPARAPRSS1TMPRSS15PRSS2
SCHEMBL19486247 0.89 SMN1; SMN2 (0.58) PPARGPPARAPRSS1TMPRSS15PRSS2
SCHEMBL19489229 0.89 SMN1; SMN2 (0.58) PPARGPPARAPRSS1TMPRSS15PRSS2
SCHEMBL7831123 0.86 PPARG (0.45) PPARGPPARAPRSS1TMPRSS15PRSS2
SCHEMBL6298677 0.85 PPARG (0.57) PPARGPPARAPRSS1PRSS2PRSS3
SCHEMBL6297032 0.85 PPARG (0.57) PPARGPPARAPRSS1PRSS2PRSS3
SCHEMBL6297030 0.85 PPARG (0.57) PPARGPPARAPRSS1PRSS2PRSS3
SCHEMBL2230124 0.84 PPARG (0.63) PPARGPPARASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148439-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2018-05-31 US disclosed
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 (2 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 PPARG 1390/4885PPARA 670/4885PRSS1 295/4885
US-20180148439-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA LACTAMS DDOST, LBR, STS PPARG 1390/4885PPARA 670/4885PRSS1 295/4885

“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.