SCHEMBL2551746

SCHEMBL2551746

C[C@@H]1CCCN1[C@@H](C(=O)O)c1ccsc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
LMNA P02545 2/20 0.37
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SIGMAR1 Q99720 1/20 0.34
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
ACE P12821 1/20 0.33
GRM5 P41594 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PTGS1 P23219 1/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 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
SCHEMBL15476567 1.00 KDM4E (0.61) KDM4ELMNAALOX5ALDH1A1SIGMAR1
SCHEMBL15476970 1.00 KDM4E (0.61) KDM4ELMNAALOX5ALDH1A1SIGMAR1
SCHEMBL14862459 1.00 KDM4E (0.61) KDM4ELMNAALOX5ALDH1A1SIGMAR1
SCHEMBL15476528 0.88 KDM4E (0.47) KDM4ELMNAALOX5ALDH1A1SIGMAR1
SCHEMBL15476526 0.88 KDM4E (0.47) KDM4ELMNAALOX5ALDH1A1SIGMAR1
SCHEMBL15068256 0.81 KDM4E (0.89) KDM4ELMNAALDH1A1GAAHPGD
SCHEMBL15067033 0.81 KDM4E (0.89) KDM4ELMNAALDH1A1GAAHPGD
SCHEMBL15068257 0.81 KDM4E (0.89) KDM4ELMNAALDH1A1GAAHPGD
SCHEMBL15476952 0.76 KDM4E (0.58) KDM4ELMNAALDH1A1HPGDCHRM2
SCHEMBL14862404 0.76 KDM4E (0.58) KDM4ELMNAALDH1A1HPGDCHRM2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
EP-2766352-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (UHN) (CA) 2014-08-20 EP disclosed
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERISTY HEALTH NETWORKS (CA) 2014-02-20 US disclosed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 WO disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 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-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 KDM4E 1467/4885LMNA 1823/4885ALOX5 1795/4885
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 KDM4E 722/4885LMNA 2934/4885ALOX5 3119/4885

“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.