SCHEMBL25753676

SCHEMBL25753676

COC(=O)C[C@H](N[S+]([O-])C(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.47
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSA P10619 1/20 0.34
CYP26A1 O43174 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 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
SCHEMBL24036985 1.00 KCNA5 (0.47) KCNA5MEN1POLBKMT2ACTSA
SCHEMBL30671348 0.90 ALDH1A1 (0.39) KCNA5CTSACYP26A1ALDH1A1MAPT
SCHEMBL29423266 0.90 ALDH1A1 (0.39) KCNA5CTSACYP26A1ALDH1A1MAPT
SCHEMBL22699241 0.90 ALDH1A1 (0.39) KCNA5CTSACYP26A1ALDH1A1MAPT
SCHEMBL22837965 0.90 ALDH1A1 (0.39) KCNA5CTSACYP26A1ALDH1A1MAPT
SCHEMBL20546555 0.88 CYP26A1 (0.44) KCNA5CTSACYP26A1ALDH1A1MAPT
SCHEMBL22691186 0.88 CYP26A1 (0.44) KCNA5CTSACYP26A1ALDH1A1MAPT
SCHEMBL22691188 0.88 CYP26A1 (0.44) KCNA5CTSACYP26A1ALDH1A1MAPT
SCHEMBL22691183 0.88 CYP26A1 (0.44) KCNA5CTSACYP26A1ALDH1A1MAPT
SCHEMBL24036770 0.88 POLB (0.35) KCNA5MEN1POLBKMT2A

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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 KCNA5 1043/4885MEN1 431/4885POLB 860/4885

“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.