SCHEMBL22668929

SCHEMBL22668929

CC(C)(C)C(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.44
▸ PTGS2 P35354 4/20 0.44
▸ PTPN1 P18031 2/20 0.38
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ NPY4R P50391 4/20 0.37
▸ NPY5R Q15761 4/20 0.36
▸ NPY1R P25929 3/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ TACR3 P29371 1/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ NMT2 O60551 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ C3AR1 Q16581 1/20 0.34
▸ ROCK2 O75116 1/20 0.34

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
SCHEMBL20340675 0.91 NMT1 (0.43) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL22668934 0.90 NPY4R (0.38) PTGS1PTGS2NPY4RNPY5RNPY1R
SCHEMBL18932741 0.90 PTGS1 (0.46) PTGS1PTGS2PTPN1ITGB3ITGA2B
SCHEMBL17722910 0.90 PTGS1 (0.46) PTGS1PTGS2PTPN1ITGB3ITGA2B
SCHEMBL23436462 0.90 NMT1 (0.46) NPY4RNPY5RNPY1RNPY2RNMT2
SCHEMBL20889000 0.90 NMT1 (0.46) NPY4RNPY5RNPY1RNPY2RNMT2
SCHEMBL20935160 0.90 SMN1; SMN2 (0.41) PTPN1ITGB3ITGA2BNPY4RNPY5R
SCHEMBL19681467 0.89 PTGS1 (0.45) PTGS1PTGS2PTPN1ITGB3ITGA2B
SCHEMBL21474404 0.89 PTGS1 (0.45) PTGS1PTGS2PTPN1ITGB3ITGA2B
SCHEMBL20889018 0.89 PTGS1 (0.45) PTGS1PTGS2PTPN1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037378-B2 Variant CD58 domains and uses thereof NOVARTIS AG (CH) 2024-07-16 — — US disclosed
US-12037378-B2 Variant CD58 domains and uses thereof NOVARTIS AG (CH) 2024-07-16 — — US disclosed
US-20230295322-A1 BINDING MOLECULES AGAINST BCMA AND USES THEREOF NOVARTIS AG (CH) 2023-09-21 — — US disclosed
US-20230126689-A1 ANTI-GLYCO-CD44 ANTIBODIES AND THEIR USES GO THERAPEUTICS, INC. (US) 2023-04-27 — — US disclosed
US-20230126689-A1 ANTI-GLYCO-CD44 ANTIBODIES AND THEIR USES GO THERAPEUTICS, INC. (US) 2023-04-27 — — US disclosed
US-20230037682-A1 BINDING MOLECULES AGAINST CD3 AND USES THEREOF NOVARTIS AG (CH) 2023-02-09 — — US disclosed
US-20220396631-A1 TRISPECIFIC BINDING MOLECULES AGAINST BCMA AND USES THEREOF NOVARTIS AG (CH) 2022-12-15 — — US disclosed
US-20210163620-A1 TRISPECIFIC BINDING MOLECULES AGAINST CANCERS AND USES THEREOF NOVARTIS AG (CH) 2021-06-03 — — US disclosed
US-20200362054-A1 TRISPECIFIC BINDING MOLECULES AGAINST TUMOR-ASSOCIATED ANTIGENTS AND USE THEREOF NOVARTIS AG (CH) 2020-11-19 — — 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 (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-20230126689-A1 ANTI-GLYCO-CD44 ANTIBODIES AND THEIR USES CD44, SIGLEC7, SIGLEC9 PTGS1 4599/4885PTGS2 4573/4885PTPN1 2594/4885
US-12037378-B2 Variant CD58 domains and uses thereof CD2, CD58, CD2BP2 PTGS1 3958/4885PTGS2 4271/4885PTPN1 519/4885
US-20230295322-A1 BINDING MOLECULES AGAINST BCMA AND USES THEREOF EPCAM, CD40, BCR PTGS1 3270/4885PTGS2 3806/4885PTPN1 1373/4885
US-20200362054-A1 TRISPECIFIC BINDING MOLECULES AGAINST TUMOR-ASSOCIATED ANTIGENTS AND USE THEREOF CD2, CD2BP2, CD22 PTGS1 3904/4885PTGS2 4095/4885PTPN1 252/4885
US-20210163620-A1 TRISPECIFIC BINDING MOLECULES AGAINST CANCERS AND USES THEREOF CD2, CD4, CD22 PTGS1 4645/4885PTGS2 4655/4885PTPN1 507/4885
US-20220396631-A1 TRISPECIFIC BINDING MOLECULES AGAINST BCMA AND USES THEREOF CD2, CD2BP2, CD22 PTGS1 4454/4885PTGS2 4662/4885PTPN1 560/4885
US-20230037682-A1 BINDING MOLECULES AGAINST CD3 AND USES THEREOF CD2, CD4, CD14 PTGS1 3616/4885PTGS2 4241/4885PTPN1 566/4885

“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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