SCHEMBL5855896

SCHEMBL5855896

COC(=O)C(C)(C)OCCCCCCC(NC(=O)c1ccc(F)cc1)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
FOLH1 Q04609 3/20 0.39
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PRSS1 P07477 1/20 0.36

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
SCHEMBL5857667 0.90 CTSL (0.44) CTSLALDH1A1HPGDFOLH1MMP2
SCHEMBL5856228 0.90 TDP1 (0.38) ALDH1A1HPGDHDAC6HDAC3HDAC4
SCHEMBL5855798 0.90 MAPT (0.38) ALDH1A1HDAC6HDAC3HDAC1HDAC2
SCHEMBL5856188 0.89 POLB (0.44) MMP2PRSS1CTSGCTRB1CMA1
SCHEMBL5855758 0.89 PRSS1 (0.47) CTSLHDAC6HDAC3HDAC4HDAC1
SCHEMBL5855731 0.89 PRSS1 (0.47) CTSLHDAC6HDAC3HDAC4HDAC1
SCHEMBL5855987 0.89 PRSS1 (0.47) CTSLHDAC6HDAC3HDAC4HDAC1
SCHEMBL5855402 0.82 FOLH1 (0.48) CTSLALDH1A1HPGDFOLH1MMP2
SCHEMBL5857524 0.82 CYP4F2 (0.43) HPGDHDAC6HDAC3HDAC4HDAC1
SCHEMBL5857551 0.80 PPARG (0.40) HPGDHDAC6HDAC3HDAC4HDAC1

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-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7030143-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-18 US disclosed
US-7022723-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-04 US disclosed
EP-1634876-A2 Heterocyclic compounds for the treatment of hyperlipidemia agents Nippon Shinyaku Co., Ltd. (JP) 2006-03-15 EP disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 EP 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 (4 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB CTSL 3295/4885ALDH1A1 760/4885HPGD 1172/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE CTSL 3334/4885ALDH1A1 571/4885HPGD 797/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC CTSL 3811/4885ALDH1A1 557/4885HPGD 629/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC CTSL 3811/4885ALDH1A1 557/4885HPGD 629/4885

“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.