Sugi Predict

Sugi Predict / Compounds / SCHEMBL352925

SCHEMBL352925

SCHEMBL352925

CC(C)(C)N(Cc1ccc(Br)s1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ AR P10275 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ DAO P14920 1/20 0.38
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ RIPK1 Q13546 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35

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
SCHEMBL21751210 0.84 KMT2A (0.39) KMT2AMEN1LMNAALDH1A1AR
SCHEMBL25288501 0.78 AR (0.52) KMT2AALDH1A1ARL3MBTL1HTT
SCHEMBL9376239 0.75 L3MBTL1 (0.45) KMT2AALDH1A1ARL3MBTL1HTT
SCHEMBL1164825 0.74 USP30 (0.37) KMT2AMEN1LMNAALDH1A1L3MBTL1
SCHEMBL1684422 0.73 MEN1 (0.55) KMT2AMEN1LMNAALDH1A1L3MBTL1
SCHEMBL31248380 0.72 HDAC3 (0.43) KMT2AALDH1A1ARL3MBTL1HTT
SCHEMBL7685603 0.72 TRPM8 (0.58) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL1584869 0.72 HSP90AA1 (0.38) KMT2AMEN1LMNAALDH1A1L3MBTL1
SCHEMBL17475498 0.70 MEN1 (0.45) KMT2AMEN1LMNAALDH1A1L3MBTL1
SCHEMBL31248420 0.70 KMT2A (0.42) KMT2AMEN1ALDH1A1ARL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF GUANGDONG GOOD MEDICINE AND HEALTH TECHNOLOGY CO., LTD (CN) 2017-11-02 — — US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 — — US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 — — US disclosed
WO-2011044157-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS BIOGEN IDEC MA INC. (US) 2011-04-14 — — WO disclosed
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-03 — — US disclosed
WO-2011019405-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-17 — — WO disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 — — US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 — — US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 — — US disclosed
EP-1910367-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals, Inc. (US) 2008-04-16 — — EP disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
US-20060293345-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2006-12-28 — — US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 — — 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 (8 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-20060293345-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, MMP10 KMT2A 3364/4885MEN1 2808/4885LMNA 2575/4885
US-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF ABCG2, ABCC1, PNPO KMT2A 3861/4885MEN1 2386/4885LMNA 3846/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 KMT2A 3548/4885MEN1 3090/4885LMNA 2387/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 KMT2A 3548/4885MEN1 3090/4885LMNA 2387/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KMT2A 3548/4885MEN1 3090/4885LMNA 2387/4885
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD KMT2A 3015/4885MEN1 2543/4885LMNA 3082/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KMT2A 3548/4885MEN1 3090/4885LMNA 2387/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KMT2A 3548/4885MEN1 3090/4885LMNA 2387/4885

“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.