SCHEMBL65462

SCHEMBL65462

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
HPGD P15428 1/20 0.35
GDA Q9Y2T3 1/20 0.34
ATM Q13315 1/20 0.33
HSD17B10 Q99714 2/20 0.32
CYP2C19 P33261 1/20 0.32
GABRR1 P24046 1/20 0.32
POLB P06746 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31

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
SCHEMBL66608 0.82 HPGD (0.47) KDM4EHPGDGDAHSD17B10CYP2C19
SCHEMBL938509 0.74 GDA (0.38) KDM4EHPGDGDAHSD17B10CYP2C19
SCHEMBL66213 0.73 HPGD (0.38) KDM4EHPGDATMCYP2C19
SCHEMBL64381 0.70 HPGD (0.33) KDM4EHPGDATM
SCHEMBL10001159 0.68 KDM4E (0.46) KDM4EGDAHSD17B10CYP2C19POLB
SCHEMBL14529544 0.68 KDM4E (0.50) KDM4ESMN1; SMN2LMNATSHRALDH1A1
SCHEMBL1667866 0.67
SCHEMBL27321050 0.67 KDM4E (0.38) KDM4EGDAHSD17B10CYP2C19GABRR1
Hydrochloric Acid SCHEMBL947740 0.66 KDM4E (0.47) KDM4EGDAHSD17B10CYP2C19GABRR1
SCHEMBL21621435 0.65

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 47 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 KDM4E 812/4885HPGD 327/4885GDA 2242/4885
US-20060223823-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR KDM4E 812/4885HPGD 327/4885GDA 2242/4885
US-20060217553-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR KDM4E 812/4885HPGD 327/4885GDA 2242/4885
US-20050090667-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR KDM4E 812/4885HPGD 327/4885GDA 2242/4885
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE MKI67, HPGDS, HCCS KDM4E 2660/4885HPGD 31/4885GDA 1385/4885
US-20050197344-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof DHFR, DHPS, QDPR KDM4E 613/4885HPGD 178/4885GDA 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.