Sugi Predict

Sugi Predict / Compounds / SCHEMBL6418124

SCHEMBL6418124

SCHEMBL6418124

COc1ccc(CCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)c(CN(CCc2ccccc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ OXTR P30559 1/20 0.35
▸ MLNR O43193 2/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ LPAR1 Q92633 1/20 0.34
▸ LPAR5 Q9H1C0 1/20 0.34

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
SCHEMBL6651829 0.87 NAAA (0.39) NAAAKDM4EALDH1A1FAAHCSNK2B
SCHEMBL6651831 0.87 NAAA (0.39) NAAAKDM4EALDH1A1FAAHCSNK2B
SCHEMBL6418128 0.83 NAAA (0.37) NAAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL6419545 0.79 CETP (0.36) MEN1KMT2AALDH1A1FAAHNPSR1
SCHEMBL6420274 0.77 CETP (0.39) MEN1KMT2A
SCHEMBL6419973 0.77 KDM4E (0.35) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL346461 0.76 NAAA (0.49) NAAAALDH1A1FAAH
SCHEMBL346462 0.76 NAAA (0.49) NAAAALDH1A1FAAH
SCHEMBL15802593 0.76 NAAA (0.52) NAAAKDM4ECYP1A2CYP3A4FAAH
SCHEMBL15807584 0.76 SMN1; SMN2 (0.47) NAAAKDM4EKMT2AALDH1A1CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 — — EP disclosed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 — — US disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 — — US disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 — — US disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 — — 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-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 NAAA 3479/4885KDM4E 4545/4885MEN1 1246/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST NAAA 2556/4885KDM4E 4199/4885MEN1 2235/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 NAAA 3479/4885KDM4E 4545/4885MEN1 1246/4885

“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.