Sugi Predict

Sugi Predict / Compounds / SCHEMBL5753336

SCHEMBL5753336

SCHEMBL5753336

CC(C)C(O)(c1ccc2cc(OC(=O)C(C)(C)C)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.39
▸ CYP17A1 P05093 8/20 0.39
▸ SIRT2 Q8IXJ6 5/20 0.37
▸ ELANE P08246 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ S1PR4 O95977 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ S1PR1 P21453 1/20 0.33

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
SCHEMBL5751497 0.90 CYP3A4 (0.40) CYP3A4CYP17A1SIRT2CYP2C9CYP2C19
SCHEMBL5750792 0.89 CYP3A4 (0.44) CYP3A4CYP17A1SIRT2CYP2C9CYP2C19
SCHEMBL5751453 0.89 CYP17A1 (0.39) CYP3A4CYP17A1SIRT2CYP2C9CYP2C19
SCHEMBL7818254 0.88 CYP17A1 (0.39) CYP3A4CYP17A1SIRT2CYP2C9CYP2C19
SCHEMBL7818256 0.88 CYP17A1 (0.38) CYP3A4CYP17A1SIRT2CYP2C9CYP2C19
SCHEMBL5750734 0.86 CYP17A1 (0.48) CYP3A4CYP17A1SIRT2CYP2C9CYP2C19
SCHEMBL5751467 0.85 CYP3A4 (0.43) CYP3A4CYP17A1SIRT2CYP2C9CYP2C19
SCHEMBL5679939 0.84 CYP17A1 (0.44) CYP3A4CYP17A1SIRT2KMT2AMEN1
SCHEMBL1414974 0.84 CYP3A4 (0.39) CYP3A4CYP17A1SIRT2CYP2C9CYP2C19
SCHEMBL1414804 0.84 CYP17A1 (0.38) CYP3A4CYP17A1SIRT2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084149-B2 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 — — US disclosed
EP-1073640-B1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-04-13 — — EP disclosed
US-20030236274-A1 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-25 — — US disclosed
US-6573289-B1 Naphthalene derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-03 — — US disclosed
EP-1073640-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-02-07 — — EP disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 — — 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 (1 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-20030236274-A1 Naphthalene derivatives, their production and use CYP17A1, CYP21A2, HSD17B1 CYP3A4 214/4885CYP17A1 1/4885SIRT2 3163/4885

“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.