Sugi Predict

Sugi Predict / Compounds / SCHEMBL3493522

SCHEMBL3493522

SCHEMBL3493522

CC(=O)c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.49
▸ HDAC3 O15379 6/20 0.48
▸ HDAC4 P56524 6/20 0.48
▸ HDAC1 Q13547 6/20 0.48
▸ HDAC7 Q8WUI4 6/20 0.48
▸ HDAC2 Q92769 6/20 0.48
▸ HDAC10 Q969S8 6/20 0.48
▸ HDAC11 Q96DB2 6/20 0.48
▸ HDAC8 Q9BY41 6/20 0.48
▸ HDAC6 Q9UBN7 6/20 0.48
▸ HDAC9 Q9UKV0 6/20 0.48
▸ HDAC5 Q9UQL6 6/20 0.48
▸ GPR119 Q8TDV5 5/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3493525 1.00 KMT2A (0.49) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3493765 0.92 KMT2A (0.48) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3493767 0.92 KMT2A (0.48) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL18159367 0.90 HDAC3 (0.49) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL471504 0.87 KMT2A (0.62) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL31235940 0.86 HDAC3 (0.52) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1175691 0.86 HDAC3 (0.52) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL2588356 0.86 KMT2A (0.50) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL538735 0.86 KMT2A (0.50) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL4256584 0.85 CYP19A1 (0.59) KMT2AHDAC3HDAC4HDAC1HDAC7

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-9637453-B2 3-spirocyclic-6-hydroxamic acid tetralins as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2017-05-02 — — US disclosed
US-20160304456-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-10-20 — — US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 — — US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 — — US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 — — US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 — — EP disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 — — EP 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-20160304456-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS HDAC1, HDAC11, HDAC6 KMT2A 53/4885HDAC3 7/4885HDAC4 9/4885
US-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B KMT2A 1419/4885HDAC3 386/4885HDAC4 858/4885

“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.