SCHEMBL5349934

SCHEMBL5349934

Cc1cccc(F)c1NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.51
NLRP3 Q96P20 4/20 0.48
SYK P43405 1/20 0.41
ATR Q13535 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL31167626 1.00 LCK (0.51) LCKNLRP3SYKATRPDK1
SCHEMBL1610508 0.90 NLRP3 (0.53) LCKNLRP3SYKATR
SCHEMBL24574915 0.89 LCK (0.60) LCKNLRP3ATRTSHRHSD17B10
SCHEMBL19781758 0.83 NLRP3 (0.53) NLRP3TSHR
SCHEMBL660566 0.83 NLRP3 (0.43) LCKNLRP3SYKATR
SCHEMBL29741502 0.83 HDAC1 (0.51) LCKNLRP3SYKATR
SCHEMBL23054108 0.83 HTT (0.45) LCKNLRP3SYKATR
SCHEMBL2997409 0.83 LCK (0.52) LCKNLRP3ATRTSHRHSD17B10
SCHEMBL4922310 0.82 LMNA (0.43) LCKNLRP3SYKATRPDK1
SCHEMBL1346055 0.82 ALB (0.44) LCKNLRP3SYKATRPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603878-B1 PROCESSES FOR THE PREPARATION OF N-HETEROARYL-N-ARYL-AMINES BY REACTING AN N-ARYL CARBAMIC ACID ESTER WITH A HALO-HETEROARYL AND ANALOGOUS PROCESSES VERTEX PHARMA (US) 2013-01-02 EP disclosed
US-7157604-B2 Selective estrogen receptor modulators MERCK & CO., INC. (US) 2007-01-02 US disclosed
US-7157604-B2 Selective estrogen receptor modulators MERCK & CO., INC. (US) 2007-01-02 US disclosed
EP-1339683-B1 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-06-14 EP disclosed
EP-1418900-A4 SELECTIVE ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-01-25 EP disclosed
EP-1339683-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-07-27 EP disclosed
US-20040210080-A1 Selective estrogen receptor modulators MERCK & CO., INC. 2004-10-21 US disclosed
EP-1418900-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-05-19 EP disclosed
EP-1339683-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2003-09-03 EP disclosed
WO-2003015761-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2002041835-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2002-05-30 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 (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-20040210080-A1 Selective estrogen receptor modulators GPER1, ESR2, ESR1 LCK 2654/4885NLRP3 2966/4885SYK 3069/4885

“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.