SCHEMBL30231506

SCHEMBL30231506

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.71
▸ GLP1R P43220 9/20 0.68
▸ GCGR P47871 6/20 0.68
▸ APLNR P35414 2/20 0.62
▸ CRHR1 P34998 1/20 0.61
▸ CRHR2 Q13324 1/20 0.61
▸ HCRTR1 O43613 1/20 0.60
▸ HCRTR2 O43614 1/20 0.60
▸ CXCR4 P61073 1/20 0.60
▸ GIPR P48546 3/20 0.59

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
SCHEMBL30219064 1.00 CALCR (0.71) CALCRGLP1RGCGRAPLNRCRHR1
Acetic Acid SCHEMBL30219057 0.99 CALCR (0.70) CALCRGLP1RGCGRAPLNRCRHR1
Acetic Acid SCHEMBL30219038 0.99 CALCR (0.70) CALCRGLP1RGCGRAPLNRCRHR1
SCHEMBL30219087 0.99 CALCR (0.71) CALCRGLP1RGCGRAPLNRCRHR1
SCHEMBL30231481 0.99 CALCR (0.71) CALCRGLP1RGCGRAPLNRCRHR1
Acetic Acid SCHEMBL30219088 0.99 CALCR (0.70) CALCRGLP1RGCGRAPLNRCRHR1
Acetic Acid SCHEMBL30219069 0.99 CALCR (0.70) CALCRGLP1RGCGRAPLNRCRHR1
SCHEMBL38659902 0.95 CALCR (0.67) CALCRGLP1RGCGRAPLNRCRHR1
SCHEMBL30862308 0.93 CALCR (0.68) CALCRGLP1RGCGRAPLNRCXCR4
SCHEMBL30432942 0.92 CALCR (0.68) CALCRGLP1RGCGRCRHR1CRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12048732-B2 Methods of treating breast cancer Blaze Bioscience, Inc. (US) 2024-07-30 — — US disclosed
US-20230257428-A1 METHODS OF TREATMENT USING CHLOROTOXIN CONJUGATES Blaze Bioscience, Inc. 2023-08-17 — — US disclosed
US-20230037660-A1 METHODS OF TREATING VASCULAR LESIONS AND MALFORMATIONS Blaze Bioscience, Inc. 2023-02-09 — — 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-20230257428-A1 METHODS OF TREATMENT USING CHLOROTOXIN CONJUGATES CHLSN, SLC47A1, CLSPN CALCR 1387/4885GLP1R 1922/4885GCGR 2218/4885
US-20230037660-A1 METHODS OF TREATING VASCULAR LESIONS AND MALFORMATIONS FLT4, FLT1, KDR CALCR 452/4885GLP1R 831/4885GCGR 2154/4885
US-12048732-B2 Methods of treating breast cancer BRCA1, HUNK, MLEC CALCR 1367/4885GLP1R 954/4885GCGR 1274/4885

“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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