SCHEMBL19652272

SCHEMBL19652272

COC(=O)[C@@H](NC(=O)C(C)(C)C)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP2 P08253 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
TSHR P16473 2/20 0.38
SLC6A3 Q01959 2/20 0.38
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL25564751 0.85 TP53 (0.42) TP53CA12CA1CA2MMP2
SCHEMBL19658440 0.81 TP53 (0.43) TP53CA12CA1CA2MMP2
SCHEMBL14180767 0.81 TP53 (0.43) TP53CA12CA1CA2MMP2
SCHEMBL1372065 0.81 AAK1 (0.48) TP53CA12THRB
SCHEMBL21904477 0.81 AAK1 (0.48) TP53CA12THRB
SCHEMBL1372066 0.81 AAK1 (0.48) TP53CA12THRB
SCHEMBL12325521 0.79 THRB (0.41) TP53CA12CA1CA2MMP2
SCHEMBL14979937 0.79 THRB (0.41) TP53CA12CA1CA2MMP2
SCHEMBL24103813 0.79 AAK1 (0.49) CA12CA1CA2THRB
SCHEMBL29090746 0.79 AAK1 (0.49) CA12CA1CA2THRB

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
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 TP53 1133/4885CA12 2427/4885CA1 1652/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 TP53 1133/4885CA12 2427/4885CA1 1652/4885

“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.