SCHEMBL24239052

SCHEMBL24239052

NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(=O)O

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 10/20 0.82
▸ AVPR1A P37288 8/20 0.82
▸ AVPR2 P30518 6/20 0.82
▸ AVPR1B P47901 6/20 0.82
▸ TBXA2R P21731 1/20 0.78
▸ PDE4D Q08499 1/20 0.78
▸ PDE3A Q14432 1/20 0.78
▸ PTGS1 P23219 1/20 0.72

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
Lypressin SCHEMBL1650587 0.97 OXTR (0.87) OXTRAVPR1AAVPR2AVPR1BTBXA2R
Lypressin SCHEMBL33287 0.97 OXTR (0.87) OXTRAVPR1AAVPR2AVPR1BTBXA2R
Lypressin SCHEMBL29471105 0.96 OXTR (0.84) OXTRAVPR1AAVPR2AVPR1BTBXA2R
Ornipressin SCHEMBL1650220 0.96 AVPR1A (0.88) OXTRAVPR1AAVPR2AVPR1BTBXA2R
Ornipressin SCHEMBL296322 0.96 AVPR1A (0.88) OXTRAVPR1AAVPR2AVPR1BTBXA2R
Felypressin SCHEMBL361197 0.94 AVPR1A (0.82) OXTRAVPR1AAVPR2AVPR1BTBXA2R
Felypressin SCHEMBL31138866 0.94 AVPR1A (0.82) OXTRAVPR1AAVPR2AVPR1BTBXA2R
Felypressin SCHEMBL33291 0.94 AVPR1A (0.82) OXTRAVPR1AAVPR2AVPR1BTBXA2R
Felypressin SCHEMBL1650172 0.94 AVPR1A (0.82) OXTRAVPR1AAVPR2AVPR1BTBXA2R
Ornipressin SCHEMBL4410141 0.94 AVPR1A (0.85) OXTRAVPR1AAVPR2AVPR1BTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220031668-A1 METHODS OF INHIBITING PROCOLLAGEN-LYSINE, 2-OXOGLUTARATE 5-DIOXYGENASE 2 UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2022-02-03 — — 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 (1 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-20220031668-A1 METHODS OF INHIBITING PROCOLLAGEN-LYSINE, 2-OXOGLUTARATE 5-DIOXYGENASE 2 PLOD2, TPSB2, PLOD1 OXTR 3279/4885AVPR1A 2821/4885AVPR2 1118/4885

“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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