SCHEMBL6164774

SCHEMBL6164774

CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.55
PTPN1 P18031 1/20 0.53
ESR2 Q92731 1/20 0.49
GPR119 Q8TDV5 1/20 0.48
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
CYP17A1 P05093 2/20 0.48
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
PSMB8 P28062 1/20 0.46
PTPN5 P54829 1/20 0.46
EGLN2 Q96KS0 2/20 0.44
AR P10275 1/20 0.43
NAMPT P43490 1/20 0.43
MAP4K4 O95819 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42

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
SCHEMBL7545306 0.88 PTPN1 (0.53) TTKPTPN1ESR2GPR119BRD4
SCHEMBL3955210 0.82 EGLN2 (0.48) TTKPTPN1BRD4CREBBPCYP17A1
SCHEMBL6959964 0.82 PTPN1 (0.57) PTPN1ESR2GPR119S1PR1S1PR3
SCHEMBL4342180 0.81 ESR2 (0.56) ESR2PTPN5F10
SCHEMBL3790541 0.81 CYP17A1 (0.50) BRD4CREBBPCYP17A1PSMB8NAMPT
SCHEMBL6957195 0.80 PTPN1 (0.56) PTPN1ESR2GPR119S1PR1S1PR3
SCHEMBL15139200 0.80 CYP17A1 (0.52) BRD4CREBBPCYP17A1PSMB8NAMPT
SCHEMBL18570243 0.79 CYP17A1 (0.61) PTPN1CYP17A1PSMB8NAMPTMAP4K4
SCHEMBL20865536 0.79 CYP17A1 (0.68) PTPN1BRD4CREBBPCYP17A1PSMB8
SCHEMBL30914163 0.79 PDK1 (0.57) TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI TTK 2008/4885PTPN1 1142/4885ESR2 4547/4885

“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.