SCHEMBL21774487

SCHEMBL21774487

C[C@H](NC(=O)OC(C)(C)C)c1ccc(CN2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ FAAH O00519 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PKM P14618 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CTSK P43235 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL19179541 1.00 POLB (0.47) POLBRAB9AFAAHALDH1A1HTT
SCHEMBL14846692 0.88 HDAC6 (0.48) POLBRAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL14847041 0.88 POLB (0.49) POLBRAB9AFAAHALDH1A1HTT
SCHEMBL19179061 0.88 POLB (0.49) POLBRAB9AFAAHALDH1A1HTT
SCHEMBL19179414 0.88 HDAC6 (0.48) POLBRAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL19179075 0.87 HRH3 (0.49) POLBRAB9AALDH1A1HDAC1
SCHEMBL14847021 0.87 HRH3 (0.49) POLBRAB9AALDH1A1HDAC1
SCHEMBL19191511 0.86 IDH1 (0.50) POLBRAB9AFAAHALDH1A1MEN1
SCHEMBL14846688 0.86 IDH1 (0.50) POLBRAB9AFAAHALDH1A1MEN1
SCHEMBL14846679 0.85 HRH3 (0.49) ALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110291085-B Mutant isocitrate dehydrogenase inhibitors, compositions and methods thereof 艾科生物科技有限公司 2023-01-24 — — CN disclosed
US-20210403460-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2021-12-30 — — US disclosed
US-11149032-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof ISOCURE BIOSCIENCES INC. (US) 2021-10-19 — — US disclosed
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2020-03-05 — — 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 (3 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-20210403460-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A POLB 350/4885RAB9A 3547/4885FAAH 3207/4885
US-11149032-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof IDH1, IDH2, IDH3A POLB 350/4885RAB9A 3547/4885FAAH 3207/4885
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A POLB 350/4885RAB9A 3547/4885FAAH 3207/4885

“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.

Send feedback