SCHEMBL21534471

SCHEMBL21534471

CC(C)C(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN1C(=O)CC(C(C)(C)C)C1=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ NMT1 P30419 6/20 0.34
▸ NMT2 O60551 5/20 0.34
▸ OPRL1 P41146 4/20 0.33
▸ FOLH1 Q04609 2/20 0.33
▸ NPY4R P50391 2/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33

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
SCHEMBL21902204 0.93 FURIN (0.35) FURINHDAC3HDAC4HDAC1HDAC7
SCHEMBL24722315 0.93 FURIN (0.34) FURINHDAC3HDAC4HDAC1HDAC7
SCHEMBL19170445 0.93 FURIN (0.34) FURINHDAC3HDAC4HDAC1HDAC7
SCHEMBL19171266 0.92 FURIN (0.34) FURINHDAC3HDAC4HDAC1HDAC7
SCHEMBL22768329 0.91 FURIN (0.34) FURINHDAC3HDAC4HDAC1HDAC7
SCHEMBL25637037 0.89 HDAC3 (0.35) FURINHDAC3HDAC4HDAC1HDAC7
SCHEMBL23267021 0.89 HDAC3 (0.39) FURINHDAC3HDAC4HDAC1HDAC7
SCHEMBL22768316 0.89 SIRT5 (0.35) FURIN
SCHEMBL24722050 0.89 HDAC3 (0.35) FURINHDAC3HDAC4HDAC1HDAC7
SCHEMBL25636583 0.89 HDAC3 (0.35) FURINHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2022-08-18 — — US disclosed
US-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2020-12-10 — — US disclosed
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2020-04-23 — — US disclosed
US-10463749-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2019-11-05 — — 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 (4 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-10463749-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 FURIN 1025/4885HDAC3 2051/4885HDAC4 1848/4885
US-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR FURIN 1107/4885HDAC3 2031/4885HDAC4 1953/4885
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 FURIN 1025/4885HDAC3 2051/4885HDAC4 1848/4885
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR FURIN 1107/4885HDAC3 2031/4885HDAC4 1953/4885

“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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