SCHEMBL3393899

SCHEMBL3393899

CN(C)Cc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTR7 P34969 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
LSS P48449 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
BRD4 O60885 1/20 0.30
BRD9 Q9H8M2 1/20 0.30

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
Hydrochloric Acid SCHEMBL9280684 0.98 HRH3 (0.39) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL1017720 0.82 HTR7 (0.39) ALDH1A1TSHRNOS1LMNAGAA
SCHEMBL9986342 0.82 PPARG (0.37) TSHRNOS3NOS1LPLLIPG
Hydrochloric Acid SCHEMBL3324202 0.81 HTR7 (0.38) ALDH1A1TSHRNOS1LMNAGAA
SCHEMBL18705952 0.81 LPL (0.32) LPLLIPG
SCHEMBL1129027 0.81 LPL (0.32) LPLLIPG
SCHEMBL1490590 0.81 F11 (0.47) HRH3NOS3NOS1NOS2LPL
SCHEMBL16162256 0.79 SLC2A1 (0.41) ALDH1A1TSHRNOS1GAA
SCHEMBL6607206 0.78 PPARG (0.34) GPR119LPLLIPG
SCHEMBL1774449 0.78 LTA4H (0.40) LMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398598-B1 SULFONAMIDE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF HITGEN INC (CN) 2022-04-06 EP disclosed
US-11149008-B2 Sulfamide derivatives and preparation method and use thereof HitGen, Inc. 2021-10-19 US disclosed
US-20190031612-A1 SULFAMIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HITGEN LTD. (CN) 2019-01-31 US disclosed
EP-3398598-A1 SULFONAMIDE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF Hitgen Ltd. (CN) 2018-11-07 EP disclosed
EP-2417140-B1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 EP disclosed
EP-1962830-B1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC (US) 2013-03-27 EP disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
EP-1799671-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-10 EP disclosed
US-7495102-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORPORATION (US) 2009-02-24 US disclosed
US-7419988-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORP (US) 2008-09-02 US disclosed
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 US disclosed
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2008-01-03 US disclosed
US-20070254910-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2007-11-01 US disclosed
US-7282588-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM (US) 2007-10-16 US disclosed
US-20070232615-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2007-10-04 US disclosed
WO-2007076348-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
US-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2007-06-28 US disclosed
EP-1799671-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-06-27 EP disclosed
WO-2006026703-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-09 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-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB HRH3 2284/4885ALDH1A1 1793/4885TSHR 3273/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB HRH3 2284/4885ALDH1A1 1793/4885TSHR 3273/4885
US-11149008-B2 Sulfamide derivatives and preparation method and use thereof HDAC6, HDAC1, HDAC11 HRH3 791/4885ALDH1A1 554/4885TSHR 2376/4885
US-20070232615-A1 Chemical Compounds CXCR4, CCR5, CXCR3 HRH3 874/4885ALDH1A1 2493/4885TSHR 3640/4885
US-20070254910-A1 CHEMICAL COMPOUNDS CXCR4, CCR5, CXCR3 HRH3 874/4885ALDH1A1 2493/4885TSHR 3640/4885
US-20100261714-A1 INHIBITORS OF HIV REPLICATION RTF2, POLR1A, REV1 HRH3 1136/4885ALDH1A1 1624/4885TSHR 4167/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB HRH3 2284/4885ALDH1A1 1793/4885TSHR 3273/4885
US-20190031612-A1 SULFAMIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HDAC6, HDAC1, HDAC11 HRH3 791/4885ALDH1A1 554/4885TSHR 2376/4885

“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.