SCHEMBL22401901

SCHEMBL22401901

CC(C)(C)N1C(=O)c2ccccc2C1=S

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ CASP3 P42574 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TTR P02766 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ EHMT1 Q9H9B1 1/20 0.34
▸ CHRM2 P08172 1/20 0.34

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
SCHEMBL22401902 0.85 TDP1 (0.35) DPP4NR1H2NR1H3NPC1RAB9A
SCHEMBL2156119 0.85 CASP3 (0.46) CASP3CYP1A2POLBMEN1KMT2A
SCHEMBL30472938 0.85 CASP3 (0.46) CASP3CYP1A2POLBMEN1KMT2A
SCHEMBL11610021 0.80 DPP4 (0.39) DPP4NR1H2NR1H3CASP3CYP1A2
SCHEMBL54760 0.80 DPP4 (0.40) DPP4NR1H2NR1H3CASP3CYP1A2
SCHEMBL30544036 0.80 DPP4 (0.40) DPP4NR1H2NR1H3CASP3CYP1A2
SCHEMBL31288119 0.80 DPP4 (0.40) DPP4NR1H2NR1H3CASP3CYP1A2
SCHEMBL11603985 0.79 DPP4 (0.41) DPP4NR1H2NR1H3CASP3CYP1A2
SCHEMBL11608160 0.79 NR1H3 (0.44) DPP4NR1H2NR1H3CASP3CYP1A2
SCHEMBL961338 0.77 DPP4 (0.38) DPP4NR1H2NR1H3CASP3CYP1A2

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-20220213070-A1 COMPOUNDS INHIBITING TDG ACTIVITY Epitas Biosciences (shanghai) Co., Ltd. (CN) 2022-07-07 — — US disclosed
US-20200281202-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2020-09-10 — — 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-20200281202-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP51A1 DPP4 952/4885NR1H2 2707/4885NR1H3 3098/4885
US-20220213070-A1 COMPOUNDS INHIBITING TDG ACTIVITY TDO2, TFPI, PPIG DPP4 453/4885NR1H2 1929/4885NR1H3 1863/4885

“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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