SCHEMBL16526480

SCHEMBL16526480

CC#CC(C)(O)c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 18/20 0.42
▸ CHUK O15111 1/20 0.41
▸ PAK4 O96013 1/20 0.38

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
SCHEMBL16522734 0.85 MAP3K14 (0.42) MAP3K14CHUKPAK4
SCHEMBL16517377 0.82 MAP3K14 (0.40) MAP3K14CHUKPAK4
SCHEMBL16526419 0.81 MAP3K14 (0.40) MAP3K14CHUKPAK4
SCHEMBL18673567 0.80 MAP3K14 (0.39) MAP3K14CHUKPAK4
SCHEMBL1614475 0.79 MAP3K14 (0.38) MAP3K14CHUKPAK4
SCHEMBL1613093 0.79 MAP3K14 (0.38) MAP3K14CHUKPAK4
SCHEMBL11971318 0.79 MAP3K14 (0.38) MAP3K14CHUKPAK4
SCHEMBL1566173 0.76 — —
SCHEMBL8682794 0.76 ALDH1A1 (0.40) MAP3K14CHUK
SCHEMBL2355729 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202378-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 — — US disclosed
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 — — US disclosed
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 — — US disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
WO-2016135163-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2016-09-01 — — WO disclosed
WO-2016123391-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-08-04 — — WO disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 — — 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 (5 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-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA MAP3K14 553/4885CHUK 51/4885PAK4 2861/4885
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA MAP3K14 553/4885CHUK 51/4885PAK4 2861/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885CHUK 34/4885PAK4 3027/4885
US-10202378-B2 Therapeutic compounds and uses thereof TAF1, TAF1L, TAF1B MAP3K14 2217/4885CHUK 1286/4885PAK4 4111/4885
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF TAF1, TAF1L, TAF1B MAP3K14 2217/4885CHUK 1286/4885PAK4 4111/4885

“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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