SCHEMBL14627795

SCHEMBL14627795

CCCCc1ccc(NC(=O)O[C@H]2CC[C@H](N[S+]([O-])C(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.43
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
POLB P06746 2/20 0.42
SPHK1 Q9NYA1 6/20 0.42
GAA P10253 1/20 0.42
BCHE P06276 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL10113913 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10112952 0.88 HPGD (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10113025 0.88 HPGD (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10113919 0.85 POLB (0.54) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL10113912 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL14627796 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10133983 0.80 HPGD (0.52) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10112954 0.80 HPGD (0.52) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10113910 0.78 PLK1 (0.48) HPGDTP53EPHX1EPHX2CA12
SCHEMBL10113032 0.77 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R NPC1 1435/4885RAB9A 3699/4885SMN1; SMN2 2213/4885

“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.