Sugi Predict

Sugi Predict / Compounds / SCHEMBL4847717

SCHEMBL4847717

SCHEMBL4847717

CCCCCC(COc1ccc(C(=O)OC)cc1)c1ccc2c(c1)OCCC2(SC)SC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.38
▸ CYP26A1 O43174 3/20 0.36
▸ CYP26B1 Q9NR63 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ HNF4A P41235 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 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
SCHEMBL6146889 0.93 RARA (0.38) CYP3A4CYP26A1CYP26B1GAATSHR
SCHEMBL4847037 0.92 CYP26A1 (0.46) CYP3A4CYP26A1CYP26B1TSHRRARB
SCHEMBL4846989 0.89 CYP3A4 (0.46) CYP3A4CYP26A1CYP26B1GAATSHR
SCHEMBL6144565 0.85 CYP26A1 (0.46) CYP3A4CYP26A1CYP26B1TSHRRARA
SCHEMBL6944154 0.85 RARB (0.39) CYP3A4CYP26A1CYP26B1GAATSHR
SCHEMBL6148261 0.80 CYP3A4 (0.57) CYP3A4CYP26A1CYP26B1GAATSHR
SCHEMBL6148260 0.80 CYP3A4 (0.57) CYP3A4CYP26A1CYP26B1GAATSHR
SCHEMBL4842332 0.80 CYP26A1 (0.55) CYP3A4CYP26A1CYP26B1TSHRRARA
SCHEMBL4843119 0.79 MAP3K14 (0.34) —
SCHEMBL6942679 0.76 CYP26A1 (0.44) CYP3A4CYP26A1CYP26B1GAATSHR

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-7354931-B2 Treating obstructive airway disorders using nontoxic drug ROCHE PALO ALTO LLC (US) 2008-04-08 — — US disclosed
EP-1442032-B1 HETEROCYCLIC RETINOID COMPOUNDS HOFFMANN LA ROCHE (CH) 2007-04-18 — — EP disclosed
US-20050049238-A1 Heterocyclic retinoid compounds KLAUS MICHAEL (DE) 2005-03-03 — — US disclosed
US-6818652-B2 THERAPEUTIC TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE, CANCER AND DERMATOLOGICAL SKIN DISORDERS SYNTEX (U.S.A.) LLC 2004-11-16 — — US disclosed
EP-1442032-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 — — EP disclosed
US-20030158178-A1 Heterocyclic retinoid compounds SYNTEX (U.S.A.) LLC 2003-08-21 — — US disclosed
WO-2003037882-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 — — 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-20050049238-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA CYP3A4 1244/4885CYP26A1 102/4885CYP26B1 78/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA CYP3A4 1244/4885CYP26A1 102/4885CYP26B1 78/4885

“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.