SCHEMBL19605734

SCHEMBL19605734

BC(=O)OCc1ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(C)(C)OCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 2/20 0.51
▸ SSTR3 P32745 1/20 0.51
▸ SIRT1 Q96EB6 6/20 0.44
▸ SIRT2 Q8IXJ6 6/20 0.44
▸ ECE1 P42892 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ KDM1A O60341 3/20 0.41
▸ MAOA P21397 2/20 0.41
▸ KDM1B Q8NB78 1/20 0.41
▸ RCOR1 Q9UKL0 1/20 0.41
▸ SIRT3 Q9NTG7 2/20 0.41

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
SCHEMBL20288566 0.95 CALCRL (0.51) CALCRLSSTR3SIRT1SIRT2ECE1
SCHEMBL23868672 0.93 CALCRL (0.50) CALCRLSSTR3SIRT1SIRT2ECE1
SCHEMBL26016683 0.89 CALCRL (0.51) CALCRLSSTR3SIRT1SIRT2ECE1
SCHEMBL19455828 0.80 OPRK1 (0.44) CALCRLSSTR3
SCHEMBL24829473 0.80 SSTR3 (0.57) CALCRLSSTR3SIRT1SIRT2SIRT3
SCHEMBL23651238 0.79 CALCRL (0.51) CALCRLSSTR3ECE1HDAC8MMP3
SCHEMBL23651237 0.79 CALCRL (0.51) CALCRLSSTR3ECE1HDAC8MMP3
SCHEMBL21653415 0.79 SIRT2 (0.41) SIRT1SIRT2SIRT3
SCHEMBL17490754 0.79 SSTR3 (0.54) CALCRLSSTR3SIRT1SIRT2SIRT3
SCHEMBL24472056 0.78 SSTR3 (0.55) CALCRLSSTR3SIRT1SIRT2ECE1

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-11542332-B2 Anti-CTLA4 antibodies, antibody fragments, their immunoconjugates and uses thereof BIOATLA, INC. (US) 2023-01-03 — — US disclosed
US-11518812-B2 Monoclonal antibodies against HER2 epitope and methods of use thereof MERSANA THERAPEUTICS, INC. (US) 2022-12-06 — — US disclosed
US-11254742-B2 Anti-Ror2 antibodies, antibody fragments, their immunoconjugates and uses thereof BIOATLA, INC. (US) 2022-02-22 — — US disclosed
US-20210403577-A1 ANTI-AXL ANTIBODIES, ANTIBODY FRAGMENTS AND THEIR IMMUNOCONJUGATES AND USES THEREOF BIOATLA, INC. (US) 2021-12-30 — — US disclosed
US-20210403565-A1 ANTI-CTLA4 Antibodies, Antibody Fragments, Their Immunoconjugates and Uses Thereof BIOATLA, INC. (US) 2021-12-30 — — US disclosed
US-10435471-B2 Anti-FcRH5 antibodies GENENTECH, INC. (US) 2019-10-08 — — US disclosed
US-20180015179-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC. (US) 2018-01-18 — — US disclosed
US-20170326248-A1 ANTI-CD22 ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC (US) 2017-11-16 — — 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 (8 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-20170326248-A1 ANTI-CD22 ANTIBODIES AND IMMUNOCONJUGATES CD22, CD2, CD2BP2 CALCRL 1428/4885SSTR3 1595/4885SIRT1 3576/4885
US-11542332-B2 Anti-CTLA4 antibodies, antibody fragments, their immunoconjugates and uses thereof CD274, IGLV6-57, PDCD1LG2 CALCRL 410/4885SSTR3 1657/4885SIRT1 3854/4885
US-11518812-B2 Monoclonal antibodies against HER2 epitope and methods of use thereof ERBB2, EGFR, ERBB3 CALCRL 1949/4885SSTR3 454/4885SIRT1 4346/4885
US-20210403577-A1 ANTI-AXL ANTIBODIES, ANTIBODY FRAGMENTS AND THEIR IMMUNOCONJUGATES AND USES THEREOF AXL, ERBB3, TYRO3 CALCRL 1444/4885SSTR3 258/4885SIRT1 1951/4885
US-20180015179-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES CD79B, CD99, CD47 CALCRL 2655/4885SSTR3 2572/4885SIRT1 4814/4885
US-10435471-B2 Anti-FcRH5 antibodies FCGR3B, FCGRT, FCGR1A CALCRL 1159/4885SSTR3 616/4885SIRT1 4850/4885
US-11254742-B2 Anti-Ror2 antibodies, antibody fragments, their immunoconjugates and uses thereof RORB, RORA, RORC CALCRL 2120/4885SSTR3 2704/4885SIRT1 3833/4885
US-20210403565-A1 ANTI-CTLA4 Antibodies, Antibody Fragments, Their Immunoconjugates and Uses Thereof CD274, IGLV6-57, PDCD1LG2 CALCRL 410/4885SSTR3 1657/4885SIRT1 3854/4885

“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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