SCHEMBL16574584

SCHEMBL16574584

COC(=O)C(N)CSSC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.40
▸ METAP2 P50579 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ GFPT1 Q06210 1/20 0.30
▸ FNTA P49354 1/20 0.30
▸ FNTB P49356 1/20 0.30
▸ PGGT1B P53609 1/20 0.30
▸ PRKCA P17252 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
Hydrochloric Acid SCHEMBL2891848 0.98 KIF11 (0.40) KIF11METAP2METAP1CA1CA2
Hydrochloric Acid SCHEMBL2891851 0.98 KIF11 (0.40) KIF11METAP2METAP1CA1CA2
SCHEMBL12438525 0.84 KIF11 (0.43) KIF11CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL111173 0.84 KIF11 (0.43) KIF11CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL111172 0.84 KIF11 (0.43) KIF11CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL111171 0.84 KIF11 (0.43) KIF11CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL12438515 0.84 KIF11 (0.43) KIF11CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL24540526 0.84 NOS1 (0.36) METAP2METAP1
SCHEMBL8412082 0.84 METAP2 (0.30) METAP2METAP1
SCHEMBL19924408 0.84 METAP2 (0.41) METAP2METAP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 — — US disclosed
US-20160311858-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-10-27 — — US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-03-19 — — US disclosed
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-03-19 — — 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 (3 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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R KIF11 3247/4885METAP2 1161/4885METAP1 747/4885
US-20160311858-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R KIF11 3247/4885METAP2 1161/4885METAP1 747/4885
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R KIF11 3247/4885METAP2 1161/4885METAP1 747/4885

“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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