Sugi Predict

Sugi Predict / Compounds / SCHEMBL2807528

SCHEMBL2807528

SCHEMBL2807528

COC(=O)NC(CC(=O)O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ APLNR P35414 1/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ P2RX7 Q99572 3/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ EPHX1 P07099 1/20 0.35

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
SCHEMBL1853356 0.84 CTSS (0.47) ALDH1A1CA1CA2KMT2AEPHX1
SCHEMBL6690998 0.84 CTSS (0.47) ALDH1A1CA1CA2KMT2AEPHX1
SCHEMBL16681191 0.84 CTSS (0.47) ALDH1A1CA1CA2KMT2AEPHX1
SCHEMBL17323219 0.84 CNR2 (0.34) ALDH1A1APLNRSMN1; SMN2NPSR1
SCHEMBL336576 0.83 CTSS (0.45) ALDH1A1CA1CA2KMT2AEPHX1
SCHEMBL16689350 0.83 CTSS (0.45) ALDH1A1CA1CA2KMT2AEPHX1
SCHEMBL20777601 0.81 DPP4 (0.48) ALDH1A1CA12CA1CA2MMP2
SCHEMBL3655319 0.81 HRH3 (0.41) ALDH1A1SMN1; SMN2TP53KMT2AEPHX2
SCHEMBL335784 0.80 BTK (0.46) CA1CA2KMT2AEPHX1
SCHEMBL5503198 0.79 HRH3 (0.39) SMN1; SMN2EPHX1

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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 — — WO 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 (2 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 ALDH1A1 1903/4885APLNR 604/4885CA12 2381/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 ALDH1A1 2399/4885APLNR 1047/4885CA12 1778/4885

“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.