SCHEMBL2236147

SCHEMBL2236147

CN(C)CCOc1ccc2oc(C(=O)O)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 4/20 0.58
PIM1 P11309 3/20 0.54
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
SIGMAR1 Q99720 2/20 0.48
MAOB P27338 1/20 0.47
FLT3 P36888 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL5559605 0.94 PIM1 (0.53) ALDH1A1KDM4EPIM1LMNATP53
SCHEMBL13359316 0.90 KDM4E (0.54) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL12848549 0.88 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHSD17B10MEN1
SCHEMBL12795499 0.86 KDM4E (0.51) ALDH1A1KDM4EPIM1LMNAHSD17B10
SCHEMBL6986259 0.85 HSD17B10 (0.53) ALDH1A1KDM4ELMNAHSD17B10MEN1
SCHEMBL18591899 0.85 PIM1 (0.58) ALDH1A1PIM1LMNATP53HSD17B10
SCHEMBL9990974 0.85 PIM1 (0.58) ALDH1A1PIM1LMNATP53HSD17B10
SCHEMBL6414543 0.84 LMNA (0.62) ALDH1A1KDM4EPIM1LMNATP53
SCHEMBL5866928 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EPIM1LMNATP53
SCHEMBL11457413 0.82 PIM1 (0.54) ALDH1A1PIM1LMNATP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP claimed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO claimed
EP-1747021-B1 SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES SQUIBB & SONS LLC (US) 2015-09-09 EP disclosed
EP-1747021-B1 SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES SQUIBB & SONS LLC (US) 2015-09-09 EP disclosed
EP-1940470-B1 Antibody-drug conjugates and their use MEDAREX INC (US) 2013-04-17 EP disclosed
EP-1940470-B1 Antibody-drug conjugates and their use MEDAREX INC (US) 2013-04-17 EP disclosed
US-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 US disclosed
US-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 US disclosed
US-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 US disclosed
EP-2354163-A2 Conjugates of duocarmycin and anti-CD70 or anti-PSMA antibodies Medarex, Inc. (US) 2011-08-10 EP disclosed
US-20060024317-A1 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC (US) 2006-02-02 US disclosed
WO-2005112919-A2 SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES MEDAREX, INC. (US) 2005-12-01 WO disclosed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
US-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily THOMPSON SCOTT KEVIN (US) 2002-10-24 US disclosed
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 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 (2 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-20060024317-A1 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors CD74, HSP90B1, LY96 ALDH1A1 1364/4885KDM4E 4460/4885PIM1 3291/4885
US-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily PEPD, PREP, CPN1 ALDH1A1 1725/4885KDM4E 4379/4885PIM1 1533/4885

“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.