SCHEMBL22279884

SCHEMBL22279884

COc1ccc(CN2CC(C(OC(C)=O)C(=O)NC3CC3)[C@@H](c3ccccc3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TSHR P16473 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ DRD4 P21917 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ TEAD4 Q15561 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL20875942 1.00 SIGMAR1 (0.43) SIGMAR1MEN1KMT2ATSHRBRD4
SCHEMBL20875866 0.93 TSHR (0.40) MEN1KMT2ATSHRBRD4ALDH1A1
SCHEMBL22279633 0.93 TSHR (0.40) MEN1KMT2ATSHRBRD4ALDH1A1
SCHEMBL22279595 0.80 PRKAA2 (0.36) MEN1KMT2ATSHRALDH1A1
SCHEMBL20876032 0.80 PRKAA2 (0.36) MEN1KMT2ATSHRALDH1A1
SCHEMBL20875923 0.80 PRKAA2 (0.36) MEN1KMT2ATSHRALDH1A1
SCHEMBL22262834 0.80 SIGMAR1 (0.48) SIGMAR1MEN1KMT2ABRD4DRD4
SCHEMBL22279815 0.76 MEN1 (0.53) SIGMAR1MEN1KMT2AMMP1MMP13
SCHEMBL20875914 0.76 MEN1 (0.52) SIGMAR1MEN1KMT2AMMP1MMP13
SCHEMBL20875995 0.71 MEN1 (0.49) SIGMAR1MEN1KMT2AMMP1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180479-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-11-23 — — US disclosed
US-20200239446-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2020-07-30 — — 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 (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-11180479-B2 Antiviral compounds PLA2G1B, PLA2G4A, PLA2G4C SIGMAR1 2247/4885MEN1 4027/4885KMT2A 4046/4885
US-20200239446-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G4A, PLA2G4C SIGMAR1 2247/4885MEN1 4027/4885KMT2A 4046/4885

“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.

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