SCHEMBL17753985

SCHEMBL17753985

Cn1cc(C(=O)NCCN2CCS(=O)(=O)CC2)c2cc[nH]c2c1=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CECR2 Q9BXF3 6/20 0.60
▸ TAF1 P21675 5/20 0.60
▸ BRD9 Q9H8M2 4/20 0.60
▸ BRD4 O60885 10/20 0.48
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ EZH2 Q15910 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL17753983 0.90 BRD9 (0.66) CECR2TAF1BRD9BRD4HPGD
SCHEMBL17753900 0.88 BRD9 (0.60) CECR2TAF1BRD9BRD4HPGD
SCHEMBL17753895 0.86 TAF1 (0.58) CECR2TAF1BRD9BRD4HPGD
SCHEMBL17753966 0.86 BRD9 (0.64) CECR2TAF1BRD9BRD4HPGD
SCHEMBL17754066 0.85 BRD9 (0.62) CECR2TAF1BRD9BRD4HPGD
SCHEMBL17753997 0.84 TAF1 (0.64) CECR2TAF1BRD9BRD4HPGD
SCHEMBL17753952 0.81 TAF1 (0.57) CECR2TAF1BRD9BRD4KDM4E
SCHEMBL17753996 0.80 TAF1 (0.56) CECR2TAF1BRD9BRD4HPGD
SCHEMBL17753988 0.80 TAF1 (0.58) CECR2TAF1BRD9BRD4HPGD
SCHEMBL17753965 0.79 BRD9 (0.72) CECR2TAF1BRD9BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — WO 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 CECR2 184/4885TAF1 439/4885BRD9 16/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CECR2 184/4885TAF1 439/4885BRD9 16/4885

“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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