SCHEMBL3784448

SCHEMBL3784448

CC(C)(C)OC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
PDK1 Q15118 3/20 0.45
PDK2 Q15119 3/20 0.45
PDK3 Q15120 3/20 0.45
PDK4 Q16654 3/20 0.45
METAP1 P53582 1/20 0.45
ATR Q13535 1/20 0.44
LCK P06239 1/20 0.44
ALDH1A1 P00352 1/20 0.44
BRD9 Q9H8M2 1/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL28146075 0.92 MEN1 (0.60) MEN1KMT2AMAPK1LMNAPDK1
SCHEMBL21681358 0.90 LCK (0.46) GPR35MEN1KMT2AMAPK1RXFP1
SCHEMBL23624071 0.89 MEN1 (0.45) GPR35MEN1KMT2AMAPK1RXFP1
SCHEMBL31605689 0.89 MEN1 (0.45) GPR35MEN1KMT2AMAPK1RXFP1
SCHEMBL21046968 0.89 RXFP1 (0.43) GPR35MEN1KMT2AMAPK1RXFP1
SCHEMBL24427984 0.89 CXCR2 (0.48) GPR35MEN1KMT2AMAPK1RXFP1
SCHEMBL29683229 0.89 RXFP1 (0.43) GPR35MEN1KMT2AMAPK1RXFP1
SCHEMBL6183442 0.88 PDK1 (0.59) GPR35MEN1KMT2AMAPK1RXFP1
SCHEMBL5802951 0.86 LMNA (0.58) MEN1KMT2AMAPK1RXFP1HSP90AA1
SCHEMBL22567756 0.85 GPR35 (0.43) GPR35MEN1KMT2AMAPK1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 GPR35 1486/4885MEN1 174/4885KMT2A 1474/4885

“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.