SCHEMBL23605035

SCHEMBL23605035

CNc1ccc2c(c1)c(C[C@@H](NC)C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)cn2C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.48
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
RORC P51449 2/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
CNR1 P21554 1/20 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
SCHEMBL10177199 0.89 TUBB1 (0.51) TUBB1MMP9MMP8TACR2TACR1
SCHEMBL14567798 0.89 TUBB1 (0.51) TUBB1MMP9MMP8TACR2TACR1
SCHEMBL57330 0.89 TUBB1 (0.51) TUBB1MMP9MMP8TACR2TACR1
SCHEMBL22692367 0.85 TUBB1 (0.57) TUBB1
SCHEMBL22692378 0.85 TUBB1 (0.57) TUBB1
SCHEMBL22692357 0.85 TUBB1 (0.57) TUBB1
SCHEMBL15429694 0.82 TUBB1 (0.42) TUBB1MMP9MMP8TACR2TACR1
SCHEMBL13682573 0.82 TUBB1 (0.42) TUBB1MMP9MMP8TACR2TACR1
SCHEMBL13681885 0.82 TUBB1 (0.42) TUBB1MMP9MMP8TACR2TACR1
SCHEMBL14567811 0.82 TUBB1 (0.42) TUBB1MMP9MMP8TACR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198314-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY SUTRO BIOPHARMA, INC. 2021-07-01 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 (1 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-20210198314-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY CYP17A1, HSD17B7, SHBG TUBB1 176/4885MMP9 3261/4885MMP8 3653/4885

“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.