SCHEMBL4197216

SCHEMBL4197216

CC(C)c1cccc2c1NC(=O)C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.59
CES1 P23141 5/20 0.55
NSD2 O96028 1/20 0.55
BCHE P06276 1/20 0.55
LIG1 P18858 1/20 0.50
CASP3 P42574 1/20 0.48
CASP2 P42575 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
DPP4 P27487 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38

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
SCHEMBL5746304 0.87 DAO (0.46) DAOCES1NSD2BCHELIG1
SCHEMBL4182713 0.83 DAO (0.53) DAOCES1NSD2BCHELIG1
SCHEMBL22525903 0.80 CASP3 (0.52) DAOCES1NSD2BCHELIG1
SCHEMBL22525287 0.76 CASP3 (0.52) DAOCASP3CASP2CASP7CASP6
SCHEMBL10648376 0.76 LIG1 (0.49) DAOCES1NSD2BCHELIG1
SCHEMBL6845708 0.75 CES1 (0.60) DAOCES1NSD2BCHELIG1
SCHEMBL3088689 0.75 DAO (1.00) DAOCES1NSD2BCHELIG1
SCHEMBL16133538 0.74 DPP4 (0.36) DAODPP4NR1H2NR1H3CA1
Hydrochloric Acid SCHEMBL11430657 0.73 DAO (0.96) DAOCES1NSD2BCHELIG1
SCHEMBL166123 0.72 HPGD (0.47) DAOCASP3CASP2CASP7CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 WO disclosed
WO-2024130095-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-20 WO disclosed
EP-2134692-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION Wyeth a Corporation of the State of Delaware (US) 2009-12-23 EP disclosed
EP-2132180-A1 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION Wyeth a Corporation of the State of Delaware (US) 2009-12-16 EP disclosed
US-20090076077-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2009-03-19 US disclosed
US-20090076077-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2009-03-19 US disclosed
US-20090076077-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2009-03-19 US disclosed
US-7465799-B2 Methods and compositions for selectin inhibition WYETH (US) 2008-12-16 US disclosed
US-7465799-B2 Methods and compositions for selectin inhibition WYETH (US) 2008-12-16 US disclosed
US-7465799-B2 Methods and compositions for selectin inhibition WYETH (US) 2008-12-16 US disclosed
US-20070244180-A1 Substituted indole derivatives SALMEDIX, INC. 2007-10-18 US disclosed
US-20060166947-A1 Multiple myeloma treatments DANA-FARBER CANCER INSTITUTE, INC. 2006-07-27 US disclosed
EP-1682511-A2 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION Wyeth (US) 2006-07-26 EP disclosed
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic SALMEDIX, INC. 2006-07-20 US disclosed
EP-1680428-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2006-07-19 EP disclosed
EP-1673373-A2 INDOLE DERIVATIVES Salmedix, Inc. (US) 2006-06-28 EP disclosed
WO-2005047257-A2 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION WYETH (US) 2005-05-26 WO disclosed
US-20050101568-A1 Methods and compositions for selectin inhibition WYETH (US) 2005-05-12 US disclosed
WO-2005033112-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2005-04-14 WO disclosed
WO-2005033113-A2 INDOLE DERIVATIVES CEPHALON, INC (US) 2005-04-14 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 (5 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-20070244180-A1 Substituted indole derivatives IDO1, IDO2, HTR3A DAO 1976/4885CES1 2278/4885NSD2 260/4885
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic IL6, OPRK1, PTGES3 DAO 941/4885CES1 594/4885NSD2 3069/4885
US-20050101568-A1 Methods and compositions for selectin inhibition SELP, SELE, SELL DAO 1610/4885CES1 707/4885NSD2 4259/4885
US-20090076077-A1 Methods and Compositions for Selectin Inhibition SELP, SELE, SELL DAO 1574/4885CES1 883/4885NSD2 4314/4885
US-20060166947-A1 Multiple myeloma treatments BCL6, MCL1, BCL6B DAO 3276/4885CES1 4591/4885NSD2 107/4885

“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.