SCHEMBL11221078

SCHEMBL11221078

CCCC(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
F2R P25116 2/20 0.64
HTT P42858 1/20 0.62
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
MAPT P10636 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PTPN1 P18031 1/20 0.56
PTPRA P18433 1/20 0.56

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
SCHEMBL7567258 0.91 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL27501194 0.89 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL6272750 0.89 HPGD (0.74) SMN1; SMN2NPC1RAB9AF2RHTT
SCHEMBL21998902 0.88 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL21999362 0.88 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL7821193 0.88 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL12430335 0.88 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL21998688 0.88 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL7822881 0.88 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL7824612 0.88 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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
CN-113614074-A Amino acid derivatives for the treatment of inflammatory diseases 罗斯坎普研究所 2021-11-05 CN disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-0069664-A1 Aminobenzamides, their salts, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1983-01-12 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-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 SMN1; SMN2 3472/4885NPC1 601/4885RAB9A 3128/4885

“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.