Sugi Predict

Sugi Predict / Compounds / SCHEMBL9950126

SCHEMBL9950126

SCHEMBL9950126

COC(=O)c1ccc2c(c1)CCN(Cc1ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc1)C2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.55
▸ NAMPT P43490 1/20 0.50
▸ MCHR1 Q99705 2/20 0.47
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ ESR2 Q92731 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL9949384 0.90 NAMPT (0.52) ACACBNAMPTMCHR1PRMT5WDR77
SCHEMBL9959114 0.86 ACACB (0.58) ACACBMCHR1PRMT5WDR77POLB
SCHEMBL9949513 0.82 ACACB (0.54) ACACBNAMPTPRMT5WDR77ESR2
SCHEMBL9950511 0.81 ACACB (0.52) ACACBNPC1RAB9A
SCHEMBL1198897 0.80 NAMPT (0.60) NAMPT
SCHEMBL30301758 0.78 ESR2 (0.69) ACACBNAMPTESR2NPC1RAB9A
SCHEMBL3024823 0.78 ESR2 (0.69) ACACBNAMPTESR2NPC1RAB9A
SCHEMBL5663801 0.77 ESR2 (0.57) ESR2NPC1RAB9AHDAC1HDAC6
SCHEMBL9950571 0.77 ACACB (0.69) ACACBHPGDPOLBACHEHDAC1
SCHEMBL3968486 0.77 ACACB (0.69) ACACBHPGDPOLBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 — — US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 — — US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 — — US disclosed
WO-2012088015-A2 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 — — WO disclosed
WO-2012088015-A2 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 — — 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-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ACACB 190/4885NAMPT 1596/4885MCHR1 3705/4885

“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.