SCHEMBL22872306

SCHEMBL22872306

CC[C@H](NC(C)(C)C)C(=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL26352875 1.00 CA1 (0.32) CA1CA2CTSSCTSK
SCHEMBL10061083 1.00 CA1 (0.32) CA1CA2CTSSCTSK
SCHEMBL14347557 0.84
SCHEMBL7802720 0.83 HDAC7 (0.34) CA1CA2CTSSCTSK
SCHEMBL12250669 0.83 HDAC7 (0.34) CA1CA2CTSSCTSK
SCHEMBL13227959 0.82 TGFBR1 (0.31)
SCHEMBL16510366 0.82 TGFBR1 (0.31)
SCHEMBL13631881 0.82 TGFBR1 (0.31)
SCHEMBL14347307 0.80 GRN (0.33)
SCHEMBL18964003 0.80 HSP90AA1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF SEAGEN INC (US) 2024-07-04 US disclosed
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof SEAGEN INC. (US) 2024-01-02 US disclosed
US-20230279053-A1 GLP-1 RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-09-07 US disclosed
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 US disclosed
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 US disclosed
US-20230028880-A1 CD38-BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. 2023-01-26 US disclosed
US-20210060121-A1 NOVEL ANTIBIOTICS AND METHODS OF USING THEM VERSITECH LIMITED (CN) 2021-03-04 US disclosed
US-20210008099-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF SEATTLE GENETICS, INC. (US) 2021-01-14 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 (7 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-20210008099-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF MSN, AURKA, AURKC CA1 4287/4885CA2 3971/4885CTSS 1713/4885
US-20230279053-A1 GLP-1 RECEPTOR ANTAGONISTS GLP1R, GIPR, GCGR CA1 3103/4885CA2 2094/4885CTSS 2829/4885
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 CA1 1424/4885CA2 3074/4885CTSS 2099/4885
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof MSN, AURKA, AURKC CA1 4287/4885CA2 3971/4885CTSS 1713/4885
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF MSN, AURKA, AURKC CA1 4287/4885CA2 3971/4885CTSS 1713/4885
US-20210060121-A1 NOVEL ANTIBIOTICS AND METHODS OF USING THEM VIP, TLR5, TREH CA1 4864/4885CA2 4413/4885CTSS 1813/4885
US-20230028880-A1 CD38-BINDING AGENTS AND USES THEREOF CD38, CD47, CD2 CA1 2535/4885CA2 2170/4885CTSS 599/4885

“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.