SCHEMBL20738470

SCHEMBL20738470

C[C@H](CO)c1cccc(C(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.44
TRPA1 O75762 4/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
TAAR1 Q96RJ0 2/20 0.34
DAO P14920 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL5247771 0.91 ABCB11 (0.50) ABCB11TRPA1HDAC4HDAC2HDAC8
SCHEMBL25094316 0.85 HDAC4 (0.47) ABCB11TRPA1HDAC4HDAC2HDAC8
SCHEMBL28674297 0.83 ABCB11 (0.44) ABCB11TRPA1HDAC4HDAC2HDAC8
SCHEMBL12284676 0.82 HDAC4 (0.44) ABCB11TRPA1HDAC4
SCHEMBL31165000 0.82 HDAC4 (0.44) ABCB11TRPA1HDAC4
SCHEMBL12827072 0.82 HDAC4 (0.44) ABCB11TRPA1HDAC4
SCHEMBL27988694 0.80 ABCB11 (0.42) ABCB11TRPA1HDAC4HDAC2HDAC8
SCHEMBL15842196 0.79 ALDH1A1 (0.46) ABCB11TRPA1
SCHEMBL20738464 0.79 ADRB1 (0.53) ABCB11TRPA1HDAC4HDAC2HDAC8
SCHEMBL9169343 0.79 ADRB1 (0.53) ABCB11TRPA1HDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 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 (4 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ABCB11 2337/4885TRPA1 3831/4885HDAC4 2221/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ABCB11 2337/4885TRPA1 3831/4885HDAC4 2221/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ABCB11 2454/4885TRPA1 3925/4885HDAC4 2350/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ABCB11 2337/4885TRPA1 3831/4885HDAC4 2221/4885

“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.