Sugi Predict

Sugi Predict / Compounds / SCHEMBL10112952

SCHEMBL10112952

SCHEMBL10112952

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ SPHK1 Q9NYA1 4/20 0.41
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GHSR Q92847 1/20 0.39

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
SCHEMBL10113025 1.00 HPGD (0.46) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14627795 0.88 NPC1 (0.46) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10113913 0.88 NPC1 (0.46) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10113007 0.85 POLB (0.54) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL10113024 0.85 POLB (0.54) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL10112974 0.81 CNR2 (0.55) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10113032 0.81 NPC1 (0.46) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13052587 0.81 NPC1 (0.46) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10112954 0.80 HPGD (0.52) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10133983 0.80 HPGD (0.52) HPGDNPC1RAB9AALDH1A1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed
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 (3 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 HPGD 3487/4885NPC1 1435/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HPGD 3475/4885NPC1 1353/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HPGD 3476/4885NPC1 1462/4885RAB9A 3820/4885

“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.