Sugi Predict

Sugi Predict / Compounds / SCHEMBL16730698

SCHEMBL16730698

SCHEMBL16730698

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NOCc1ccc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](NC(=O)CCCC(=O)O)C(C)C)cc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.58
▸ FOLH1 Q04609 3/20 0.50
▸ TTR P02766 2/20 0.49
▸ NECTIN4 Q96NY8 1/20 0.39
▸ SSTR2 P30874 2/20 0.39
▸ FAP Q12884 2/20 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
SCHEMBL19522627 1.00 CYP3A4 (0.58) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL19522554 0.95 CYP3A4 (0.55) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL16730856 0.95 CYP3A4 (0.55) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL17575423 0.94 CYP3A4 (0.53) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL19522551 0.94 CYP3A4 (0.54) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL16730700 0.94 CYP3A4 (0.54) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL16730705 0.93 CYP3A4 (0.52) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL19522552 0.93 CYP3A4 (0.52) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL16730797 0.93 CYP3A4 (0.50) CYP3A4FOLH1TTRSSTR2
SCHEMBL19522611 0.93 CYP3A4 (0.50) CYP3A4FOLH1TTRSSTR2

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-20180085471-A1 DRUG-CONJUGATES, CONJUGATION METHODS, AND USES THEREOF SORRENTO THERAPEUTICS, INC. 2018-03-29 — — US disclosed
US-9801951-B2 Drug-conjugates, conjugation methods, and uses thereof CONCORTIS BIOSYSTEMS, CORP. (US) 2017-10-31 — — US disclosed
US-20150141646-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof Concortis Biosystems, Corp., a wholly owned subsidary of Sorrento Therapeutics, Inc, (US) 2015-05-21 — — 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-20180085471-A1 DRUG-CONJUGATES, CONJUGATION METHODS, AND USES THEREOF ABCG2, UGT2B7, UGT1A9 CYP3A4 102/4885FOLH1 22/4885TTR 1184/4885
US-20150141646-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof ABCG2, UGT2B7, UGT1A9 CYP3A4 102/4885FOLH1 22/4885TTR 1184/4885

“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.