Sugi Predict

Sugi Predict / Compounds / SCHEMBL3539356

SCHEMBL3539356

SCHEMBL3539356

COC(=O)C(C)(C)[C@H]1CC[C@H](c2ccc(N)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ SLC18A3 Q16572 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32

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
SCHEMBL3539358 1.00 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCYP2C9SLC18A3
SCHEMBL3545184 0.80 KDM4E (0.44) ALDH1A1LMNAMAPTCYP2C9SLC18A3
SCHEMBL3545185 0.80 KDM4E (0.44) ALDH1A1LMNAMAPTCYP2C9SLC18A3
SCHEMBL3543912 0.79 PREP (0.38) ALDH1A1LMNAMAPTCYP2C9HSD17B1
SCHEMBL3543913 0.79 PREP (0.38) ALDH1A1LMNAMAPTCYP2C9HSD17B1
SCHEMBL14113474 0.78 CNR2 (0.39) ALDH1A1LMNAMAPTCYP2C9NPC1
SCHEMBL3303163 0.78 CNR2 (0.39) ALDH1A1LMNAMAPTCYP2C9NPC1
SCHEMBL3303160 0.78 CNR2 (0.39) ALDH1A1LMNAMAPTCYP2C9NPC1
SCHEMBL3540194 0.78 DRD2 (0.46) —
SCHEMBL3537384 0.78 DRD2 (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 — — US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 — — US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 — — US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 — — US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 — — US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 — — US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 — — US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 — — US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 — — 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 (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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 ALDH1A1 314/4885LMNA 3296/4885MAPT 2115/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 ALDH1A1 303/4885LMNA 3477/4885MAPT 1986/4885

“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.