SCHEMBL20849761

SCHEMBL20849761

CN([C@H](CCc1ccc(F)cc1)C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RIPK1 Q13546 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ AOC3 Q16853 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ MMP2 P08253 2/20 0.36
▸ MMP3 P08254 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL20849763 0.85 RIPK1 (0.42) KMT2ARIPK1HPGDTDP1HTT
SCHEMBL1706858 0.72 ESR1 (0.42) TAAR1SMN1; SMN2
SCHEMBL20849756 0.71 CHRM1 (0.37) TDP1
SCHEMBL20849760 0.71 CHRM1 (0.37) TDP1
SCHEMBL20849755 0.70 MAPT (0.46) MEN1KMT2ARIPK1HPGDCYP1A2
SCHEMBL20849762 0.70 MAPT (0.46) MEN1KMT2ARIPK1HPGDCYP1A2
SCHEMBL5871596 0.69 FFAR1 (0.49) MEN1KMT2ATAAR1DPP4KDM4E
SCHEMBL20849995 0.68 CA2 (0.38) —
SCHEMBL26837413 0.68 — —
SCHEMBL8361263 0.68 ALDH1A1 (0.46) MEN1KMT2ADPP4MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092808-A1 SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES THE JOHNS HOPKINS UNIVERSITY 2019-03-28 — — 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 (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-20190092808-A1 SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES MTOR, COASY, RICTOR MEN1 1344/4885KMT2A 3165/4885RIPK1 2361/4885

“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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