SCHEMBL22828127

SCHEMBL22828127

COC(=O)CN(c1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 2/20 0.44
▸ MME P08473 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TACR1 P25103 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ MTTP P55157 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ CTSD P07339 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
SCHEMBL22828121 0.85 KMT2A (0.46) MMEKMT2AMEN1ALDH1A1CYP2D6
SCHEMBL22828128 0.80 POLB (0.44) KMT2AMEN1ALDH1A1CYP2D6
SCHEMBL22828131 0.79 KMT2A (0.44) KMT2AMEN1ALDH1A1CYP2D6MAPT
SCHEMBL22828143 0.72 UTS2R (0.42) ALDH1A1CYP2D6MAPT
SCHEMBL12757446 0.70 ERCC1 (0.55) MAPK14ALDH1A1TACR1PPARDPPARA
SCHEMBL18134909 0.70 TACR1 (0.56) KMT2AMEN1MAPK14ALDH1A1CYP3A4
SCHEMBL2748159 0.69 LSS (0.51) MAPK14PPARDPPARA
SCHEMBL19465696 0.69 TACR1 (0.54) KMT2AMEN1MAPK14ALDH1A1CYP3A4
SCHEMBL18134876 0.69 TACR1 (0.54) KMT2AMEN1MAPK14ALDH1A1CYP3A4
SCHEMBL24149568 0.68 MLYCD (0.48) MLYCDALDH1A1MAPTKIF11

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-11377420-B2 Compositions and methods for making donor-acceptor azetines BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-05 — — US disclosed
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-12-24 — — 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-11377420-B2 Compositions and methods for making donor-acceptor azetines AZI2, AAAS, ZRANB2 MLYCD 2118/4885MME 1027/4885KMT2A 2097/4885
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES AZI2, AAAS, ZRANB2 MLYCD 2118/4885MME 1027/4885KMT2A 2097/4885

“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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