Sugi Predict

Sugi Predict / Compounds / SCHEMBL15547722

SCHEMBL15547722

SCHEMBL15547722

C[C@@]1(c2ccc(Br)cc2)[C@H](c2ccccc2)[C@@]1(Cl)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.42
▸ HDAC4 P56524 2/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ FABP7 O15540 1/20 0.35
▸ FABP5 Q01469 1/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL16912904 0.82 RORC (0.42) RORCHDAC4KMT2ANPSR1KDM4E
SCHEMBL15768650 0.81 RORC (0.43) RORCHDAC4KMT2ANPSR1KDM4E
SCHEMBL15549047 0.76 HDAC4 (0.55) HDAC4ALDH1A1LMNAMAPTMAPK1
SCHEMBL11009585 0.75 SLC9A1 (0.39) KMT2AALDH1A1LMNATSHRHTT
SCHEMBL16912944 0.72 LIPG (0.47) —
SCHEMBL15606858 0.70 HDAC4 (0.45) HDAC4KMT2AALDH1A1LMNACYP3A4
SCHEMBL15547315 0.69 HDAC4 (0.47) RORCHDAC4KMT2ANPSR1KDM4E
SCHEMBL16912922 0.69 HDAC4 (0.47) RORCHDAC4KMT2ANPSR1KDM4E
SCHEMBL12694482 0.68 HDAC4 (0.46) HDAC4KMT2ANPSR1KDM4EHCRTR1
SCHEMBL15783738 0.68 HDAC4 (0.46) HDAC4KMT2ANPSR1KDM4EHCRTR1

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-9855267-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-01-02 — — US disclosed
US-20170042892-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-02-16 — — US disclosed
US-9505736-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-11-29 — — US disclosed
US-20150203468-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2015-07-23 — — US disclosed
EP-2871955-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2015-05-20 — — EP disclosed
WO-2014014900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-01-23 — — 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-20170042892-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 RORC 2123/4885HDAC4 10/4885KMT2A 84/4885
US-20150203468-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 RORC 2123/4885HDAC4 10/4885KMT2A 84/4885

“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.