SCHEMBL16447680

SCHEMBL16447680

COCC(N)(Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
ARG1 P05089 1/20 0.51
ARG2 P78540 1/20 0.51
SLC6A2 P23975 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
BLM P54132 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38
PTPRB P23467 1/20 0.38
ALDH1A1 P00352 4/20 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
SCHEMBL1695173 0.88 SMN1; SMN2 (0.49) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL8351006 0.83 SMN1; SMN2 (0.69) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL2172319 0.80 SMN1; SMN2 (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL9457635 0.80 SMN1; SMN2 (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL14743437 0.80 SMN1; SMN2 (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL7514054 0.79 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL366770 0.78 SMN1; SMN2 (0.62) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL7924236 0.78 SMN1; SMN2 (0.62) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL22190022 0.78 SMN1; SMN2 (0.62) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL366771 0.78 SMN1; SMN2 (0.62) SMN1; SMN2HIF1AARG1ARG2SLC6A2

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-20150045328-A1 DISUBSTITUTED ARYL OXY DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-12 US disclosed
WO-2015021112-A1 DISUBSTITUTED ARYL OXY DERIVATIVES AS SPHINGOSINE-1- PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2015-02-12 WO 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-20150045328-A1 DISUBSTITUTED ARYL OXY DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR1, S1PR3, S1PR2 SMN1; SMN2 3562/4885HIF1A 2285/4885ARG1 3016/4885

“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.