SCHEMBL20011751

SCHEMBL20011751

Oc1cc(F)cc(-c2c(C#Cc3ccncc3)cccc2C(O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ BRD4 O60885 3/20 0.30

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
SCHEMBL20011709 0.87 PTGDR2 (0.35) BRD4
SCHEMBL16720180 0.81 DHODH (0.37) PIK3CDPIK3CAPIK3CB
SCHEMBL20011750 0.78 CYP1A1 (0.35) BRD4
SCHEMBL18109264 0.73 BRAF (0.37) —
SCHEMBL16719782 0.67 PTGDR2 (0.41) —
SCHEMBL9009097 0.65 CYP17A1 (0.53) PIK3CDPIK3CAPIK3CBHSD17B1HSD17B2
SCHEMBL16719381 0.65 HAO1 (0.36) —
SCHEMBL4309708 0.62 CYP17A1 (0.53) —
SCHEMBL30631688 0.62 APP (0.46) PIK3CDPIK3CA
SCHEMBL29102410 0.61 FFAR1 (0.49) PIK3CDPIK3CA

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-10421718-B2 EBNA1 inhibitors and their method of use THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2019-09-24 — — US disclosed
US-20180086699-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — 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-10421718-B2 EBNA1 inhibitors and their method of use EBNA1BP2, MLLT1, PML PIK3CD 2076/4885PIK3CA 1023/4885PIK3CB 1281/4885
US-20180086699-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE EBNA1BP2, MLLT1, PML PIK3CD 2076/4885PIK3CA 1023/4885PIK3CB 1281/4885

“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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