SCHEMBL22604307

SCHEMBL22604307

C[C@H](NC(=O)OC(C)(C)C)c1ccc(OCCOCCOCCOCCOc2ccc([C@H](C)NC(=O)OC(C)(C)C)nc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.47
CACNA1G O43497 2/20 0.45
CACNA1H O95180 2/20 0.45
CNR2 P34972 2/20 0.45
KCNH2 Q12809 1/20 0.45
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.40
TRPA1 O75762 1/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
BCHE P06276 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL22604303 1.00 CACNA1I (0.47) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL22587370 0.79 TRPA1 (0.44) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL22604310 0.79 TRPA1 (0.44) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2593288 0.78 B3GNT2 (0.45) CACNA1ITRPA1KMT2AMAPTTSHR
SCHEMBL1693739 0.78 NR1I2 (0.46) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL29815050 0.78 B3GNT2 (0.45) CACNA1ITRPA1KMT2AMAPTTSHR
SCHEMBL12069878 0.78 NR1I2 (0.46) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL16088895 0.78 B3GNT2 (0.45) CACNA1ITRPA1KMT2AMAPTTSHR
SCHEMBL31187827 0.76 PDE2A (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL22604311 0.76 CA12 (0.40) CNR2ITGB3ITGA2BSUCNR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267309-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR Epitas Biosciences (shanghai) Co., Ltd. (CN) 2022-08-25 US disclosed
EP-3964508-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR Epitas Biosciences (Shanghai) Co., Ltd. (CN) 2022-03-09 EP disclosed
WO-2020216071-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR 上海仕谱生物科技有限公司 2020-10-29 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 (1 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-20220267309-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR IDH3B, IDH1, IDH3A CACNA1I 3063/4885CACNA1G 3805/4885CACNA1H 3883/4885

“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.