SCHEMBL21458992

SCHEMBL21458992

CCCCCCCC(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HSP90AA1 P07900 1/20 0.43
GAA P10253 2/20 0.42
FAAH O00519 9/20 0.42
CES1 P23141 5/20 0.42
CES2 O00748 2/20 0.42
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CETP P11597 1/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL19407452 1.00 MEN1 (0.49) MEN1KMT2AHSP90AA1GAAFAAH
SCHEMBL19386087 0.98 MEN1 (0.50) MEN1KMT2AHSP90AA1GAAFAAH
SCHEMBL21459121 0.94 MEN1 (0.51) MEN1KMT2AGAACYP1A2CETP
SCHEMBL19407450 0.87 GAA (0.47) MEN1KMT2AGAAMAPK1
SCHEMBL21458994 0.85 MEN1 (0.70) MEN1KMT2AGAARORC
SCHEMBL19407510 0.85 MEN1 (0.70) MEN1KMT2AGAARORC
SCHEMBL18328441 0.81 KMT2A (0.47) MEN1KMT2AHSP90AA1GAAFAAH
SCHEMBL19385974 0.81 MEN1 (0.48) MEN1KMT2AGAA
SCHEMBL19407350 0.80 FAAH (0.33) MEN1KMT2AHSP90AA1FAAHCES1
SCHEMBL26623127 0.80 KMT2A (0.49) MEN1KMT2AHSP90AA1GAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563045-B Pd (II) -catalysed enantioselective beta-methylene C (sp) 3 ) -H bond activation 斯克里普斯研究学院 2022-08-23 CN disclosed
US-11186563-B2 Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-30 US disclosed
US-11186563-B2 Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-30 US disclosed
US-20190315710-A1 Pd(II)-catalyzed Enantioselective Beta-Methylene C(sp3)–H Bond Activation THE SCRIPPS RESEARCH INSTITUTE 2019-10-17 US disclosed
US-20190315710-A1 Pd(II)-catalyzed Enantioselective Beta-Methylene C(sp3)–H Bond Activation THE SCRIPPS RESEARCH INSTITUTE 2019-10-17 US disclosed
CN-109563045-A Pd (II) -catalyzed enantioselectivity β -methylene C (sp)3) -H bond activation 斯克里普斯研究学院 2019-04-02 CN 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-20190315710-A1 Pd(II)-catalyzed Enantioselective Beta-Methylene C(sp3)–H Bond Activation POLQ, AP3D1, AP3S1 MEN1 3613/4885KMT2A 787/4885HSP90AA1 4783/4885
US-11186563-B2 Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation POLQ, AP3D1, AP3S1 MEN1 3604/4885KMT2A 666/4885HSP90AA1 4760/4885

“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.