SCHEMBL3545509

SCHEMBL3545509

C[C@](O)(C(=O)O)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
PARP1 P09874 1/20 0.40
AR P10275 1/20 0.39

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
SCHEMBL4215066 1.00 KMT2A (0.44) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL22938025 0.85 SMN1; SMN2 (0.44) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL18982762 0.83 KMT2A (0.45) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL826639 0.83 KMT2A (0.45) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL15123482 0.83 KMT2A (0.45) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL27588944 0.81 RXRA (0.50) KMT2AHDAC3HDAC4HDAC2HDAC8
SCHEMBL13114549 0.81 KCNN4 (0.44) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL20659354 0.81 KCNN4 (0.44) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL31612945 0.81 KCNN4 (0.44) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL2171798 0.80 CYP1A2 (0.59) KMT2AMEN1SMN1; SMN2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
EP-1907381-A4 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2009-08-26 EP disclosed
US-20090069385-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
EP-1907381-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-09 EP disclosed
US-20070173434-A1 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
EP-1709014-B1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2007-05-30 EP disclosed
WO-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 WO disclosed
EP-1709014-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2006-10-11 EP disclosed
WO-2005070905-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2005-08-04 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 (3 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-20090069385-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG KMT2A 1608/4885MEN1 4802/4885SMN1; SMN2 4641/4885
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG KMT2A 1204/4885MEN1 4812/4885SMN1; SMN2 4695/4885
US-20070173434-A1 Antidiabetic oxazolidinediones and thiazolidinediones PPARD, PPARA, PPARG KMT2A 1480/4885MEN1 4762/4885SMN1; SMN2 4711/4885

“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.