SCHEMBL23201588

SCHEMBL23201588

CCOC(=O)/C=C/c1cc(F)ccc1C#N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP3A4 P08684 2/20 0.44
EPAS1 Q99814 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
ESR1 P03372 1/20 0.43
MAPT P10636 3/20 0.42
MAOB P27338 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
POLB P06746 2/20 0.40
FDPS P14324 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 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
SCHEMBL11353373 0.92 TTR (0.44) TTRDPP4CA12CA1CA2
SCHEMBL11353377 0.92 TTR (0.44) TTRDPP4CA12CA1CA2
SCHEMBL16218966 0.87 TTR (0.47) TTRDPP4CA12CA1CA2
SCHEMBL14970275 0.84 MAOB (0.46) TTRDPP4CA12CA1CA2
SCHEMBL5317693 0.83 ALDH1A1 (0.48) TTRDPP4CA12CA1CA2
SCHEMBL8050356 0.83 ALDH1A1 (0.48) TTRDPP4CA12CA1CA2
SCHEMBL31390627 0.82 CYP3A4 (0.51) TTRDPP4CA12CA1CA2
SCHEMBL2325706 0.82 CYP3A4 (0.51) TTRDPP4CA12CA1CA2
SCHEMBL2325697 0.82 CYP3A4 (0.51) TTRDPP4CA12CA1CA2
SCHEMBL13678677 0.81 ESR1 (0.57) TTRDPP4CA12CA1CA2

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-20220002278-A9 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF SUZHOU INSTITUTE OF MATERIA MEDICA (CN) 2022-01-06 US disclosed
US-20210101891-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-04-08 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-20210101891-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF EP300, HDAC11, HDAC1 TTR 1079/4885DPP4 1117/4885CA12 4376/4885
US-20220002278-A9 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF EP300, HDAC11, HDAC1 TTR 1079/4885DPP4 1117/4885CA12 4376/4885

“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.