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SCHEMBL10115535

SCHEMBL10115535

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(C(F)(F)F)cc1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ HPGD P15428 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ PTPRC P08575 3/20 0.39
▸ PTPN13 Q12923 1/20 0.39
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ KCNQ4 P56696 1/20 0.39
▸ KCNQ5 Q9NR82 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TERT O14746 1/20 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
SCHEMBL10115302 0.90 ALDH1A1 (0.55) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL10134482 0.88 ALDH1A1 (0.43) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL10115349 0.88 ALDH1A1 (0.43) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL10114830 0.88 ALDH1A1 (0.45) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL10114626 0.88 ALDH1A1 (0.49) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL13565660 0.87 CA9 (0.39) ALDH1A1HPGDPOLBNPSR1MEN1
SCHEMBL12882824 0.86 ALDH1A1 (0.43) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL10113902 0.83 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2HDAC3HDAC1
SCHEMBL10115397 0.83 ALDH1A1 (0.56) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL10115330 0.82 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ESMN1; SMN2PTPRC

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 7 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-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 ALDH1A1 4558/4885HPGD 3487/4885POLB 4727/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885HPGD 3475/4885POLB 4751/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885HPGD 3476/4885POLB 4721/4885

“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.