SCHEMBL3758442

SCHEMBL3758442

CC(C)(C)N(CCCNC(=O)c1ccc(N)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SLC22A2 O15244 1/20 0.55
SLC22A1 O15245 1/20 0.55
TSHR P16473 1/20 0.55
ACHE P22303 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
ESRRG P62508 1/20 0.51
SIGMAR1 Q99720 9/20 0.51
TMEM97 Q5BJF2 7/20 0.51
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
HIF1A Q16665 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
EPHX2 P34913 1/20 0.47

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
SCHEMBL3763904 0.92 LMNA (0.61) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL380616 0.83 LMNA (0.60) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL15128281 0.80 LMNA (0.63) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL1559831 0.80 HPGD (0.73) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL4385026 0.78 TMEM97 (0.58) ALDH1A1ESRRGSIGMAR1TMEM97MAPT
SCHEMBL2159841 0.77 TSHR (0.83) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL11230329 0.77 KDM4E (0.63) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL12515200 0.77 KDM4E (0.63) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL462166 0.77 HPGD (0.43) ALDH1A1SIGMAR1TMEM97HPGDACKR3
SCHEMBL3000922 0.76 POLB (0.58) LMNAALDH1A1SLC22A2SLC22A1TSHR

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
US-9187465-B2 Oxazole tyrosine kinase inhibitors SAREUM LIMITED (GB) 2015-11-17 US disclosed
US-20150057282-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2015-02-26 US disclosed
US-8921544-B2 Oxazole tyrosine kinase inhibitors SAREUM LIMITED (GB) 2014-12-30 US disclosed
US-20140275041-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2014-09-18 US disclosed
US-20130102592-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2013-04-25 US disclosed
US-8378095-B2 Oxazole tyrosine kinase inhibitors Saruem Limited (GB) 2013-02-19 US disclosed
US-20100298301-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2010-11-25 US 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 (4 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-20140275041-A1 OXAZOLE TYROSINE KINASE INHIBITORS FLT3, AURKA, FLT1 LMNA 4581/4885ALDH1A1 1403/4885SLC22A2 2329/4885
US-20100298301-A1 OXAZOLE TYROSINE KINASE INHIBITORS FLT3, AURKA, FLT1 LMNA 4581/4885ALDH1A1 1403/4885SLC22A2 2329/4885
US-20150057282-A1 OXAZOLE TYROSINE KINASE INHIBITORS FLT3, AURKA, FLT1 LMNA 4581/4885ALDH1A1 1403/4885SLC22A2 2329/4885
US-20130102592-A1 OXAZOLE TYROSINE KINASE INHIBITORS FLT3, AURKA, FLT1 LMNA 4535/4885ALDH1A1 1431/4885SLC22A2 2452/4885

“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.