SCHEMBL66608

SCHEMBL66608

CC(C)(C)c1nc[nH]c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
KDM4E B2RXH2 2/20 0.41
GDA Q9Y2T3 1/20 0.38
CYP2C19 P33261 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRR1 P24046 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PAX8 Q06710 1/20 0.33
MMP9 P14780 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
BCAT2 O15382 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL65462 0.82 KDM4E (0.37) HPGDKDM4EGDACYP2C19HSD17B10
SCHEMBL938509 0.80 GDA (0.38) HPGDKDM4EGDACYP2C19HSD17B10
SCHEMBL79752 0.79 HPGD (0.43) HPGDKDM4EGDACYP1A2LMNA
SCHEMBL65812 0.75 KDM4E (0.60) HPGDKDM4EHSD17B10LMNAALDH1A1
SCHEMBL10001159 0.73 KDM4E (0.46) KDM4EGDACYP2C19HSD17B10LMNA
SCHEMBL1667866 0.72
SCHEMBL27321050 0.72 KDM4E (0.38) KDM4EGDACYP2C19HSD17B10GABRR1
Hydrochloric Acid SCHEMBL947740 0.71 KDM4E (0.47) KDM4EGDACYP2C19HSD17B10GABRR1
SCHEMBL21621435 0.70
SCHEMBL245 0.70 KDM4E (0.59) KDM4EGDACYP2C19HSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618292-B2 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. (US) 2013-12-31 US disclosed
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-8247552-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247552-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247552-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
EP-1711487-A1 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF Nereus Pharmaceuticals, Inc. (US) 2006-10-18 EP disclosed
US-20060223822-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof BEYONDSPRING PHARMACEUTICALS, INC. 2006-10-05 US disclosed
US-20060223823-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. 2006-10-05 US disclosed
US-20060217553-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. 2006-09-28 US disclosed
US-7064201-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2006-06-20 US disclosed
US-20050197344-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof BEYONDSPRING PHARMACEUTICALS, INC. 2005-09-08 US disclosed
WO-2005077940-A1 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF NEREUS PHARMACEUTICALS, INC. (US) 2005-08-25 WO disclosed
EP-1529044-A2 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF Nereus Pharmaceuticals, Inc. (US) 2005-05-11 EP disclosed
US-20050090667-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof BEYONDSPRING PHARMACEUTICALS, INC. 2005-04-28 US disclosed
WO-2004054498-A2 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF NEREUS PHARMACEUTICALS, INC. (US) 2004-07-01 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 (6 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-20060223822-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR HPGD 327/4885KDM4E 812/4885GDA 2242/4885
US-20060223823-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR HPGD 327/4885KDM4E 812/4885GDA 2242/4885
US-20060217553-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR HPGD 327/4885KDM4E 812/4885GDA 2242/4885
US-20050090667-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR HPGD 327/4885KDM4E 812/4885GDA 2242/4885
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE MKI67, HPGDS, HCCS HPGD 31/4885KDM4E 2660/4885GDA 1385/4885
US-20050197344-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof DHFR, DHPS, QDPR HPGD 178/4885KDM4E 613/4885GDA 2684/4885

“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.