Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114910

SCHEMBL10114910

SCHEMBL10114910

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 5/20 0.45
▸ LMNA P02545 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPY5R Q15761 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ FFAR2 O15552 1/20 0.41
▸ S1PR2 O95136 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL14424381 1.00 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HTTLMNANPC1
SCHEMBL10114540 0.85 NPY5R (0.57) SMN1; SMN2ALDH1A1HTTLMNANPC1
SCHEMBL14424783 0.85 NPY5R (0.57) SMN1; SMN2ALDH1A1HTTLMNANPC1
SCHEMBL10116102 0.84 HTT (0.43) SMN1; SMN2ALDH1A1HTTLMNANPC1
SCHEMBL11617144 0.83 HTT (0.56) SMN1; SMN2ALDH1A1HTTLMNANPC1
SCHEMBL17090402 0.80 CA2 (0.39) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL13565319 0.80 CA2 (0.39) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL10114864 0.78 CSNK2A2 (0.54) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL14424631 0.78 CSNK2A2 (0.54) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL10114801 0.78 CSNK2A2 (0.56) SMN1; SMN2ALDH1A1LMNANPC1RAB9A

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 10 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-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-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-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-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 SMN1; SMN2 2213/4885ALDH1A1 4558/4885HTT 2081/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2197/4885ALDH1A1 4599/4885HTT 1904/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2251/4885ALDH1A1 4517/4885HTT 2095/4885

“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.