SCHEMBL29430240

SCHEMBL29430240

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.61
▸ CTSS P25774 3/20 0.61
▸ CTSK P43235 3/20 0.61
▸ C5AR1 P21730 2/20 0.61
▸ CTSH P09668 1/20 0.61
▸ MC4R P32245 3/20 0.57
▸ MC5R P33032 2/20 0.57
▸ MC3R P41968 2/20 0.57
▸ MC1R Q01726 2/20 0.57
▸ IL23R Q5VWK5 1/20 0.56
▸ APLNR P35414 1/20 0.55
▸ CXCR4 P61073 5/20 0.53
▸ KISS1R Q969F8 1/20 0.51
▸ KEAP1 Q14145 1/20 0.51
▸ NMBR P28336 2/20 0.50
▸ GRPR P30550 2/20 0.50

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
SCHEMBL30427910 0.98 C5AR1 (0.62) CTSLCTSSCTSKC5AR1CTSH
SCHEMBL30427315 0.90 C5AR1 (0.72) CTSLCTSSCTSKC5AR1CTSH
SCHEMBL16455231 0.87 C5AR1 (0.68) CTSLCTSSCTSKC5AR1CTSH
SCHEMBL30800876 0.87 C5AR1 (0.72) CTSLCTSSCTSKC5AR1CTSH
SCHEMBL14552191 0.86 CTSL (0.60) CTSLCTSSCTSKC5AR1CTSH
SCHEMBL23660906 0.86 CTSL (0.65) CTSLCTSSCTSKC5AR1CTSH
SCHEMBL23660890 0.86 CTSL (0.65) CTSLCTSSCTSKC5AR1CTSH
SCHEMBL23660928 0.86 CTSL (0.65) CTSLCTSSCTSKC5AR1CTSH
SCHEMBL23660911 0.86 CTSL (0.65) CTSLCTSSCTSKC5AR1CTSH
SCHEMBL23660900 0.86 CTSL (0.65) CTSLCTSSCTSKC5AR1CTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250057914-A1 COMPOSITIONS AND METHODS OF TREATING MELANOMA UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2025-02-20 — — US disclosed
US-20240398891-A1 COMPOSITIONS AND METHODS OF TREATING MELANOMA UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2024-12-05 — — US disclosed
US-11576987-B2 Compositions and methods of treating melanoma UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2023-02-14 — — US disclosed
US-20220111080-A1 COMPOSITIONS AND METHODS OF TREATING MELANOMA UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2022-04-14 — — US disclosed
US-20220072092-A1 COMPOSITIONS AND METHODS OF TREATING MELANOMA UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2022-03-10 — — 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 (5 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-20250057914-A1 COMPOSITIONS AND METHODS OF TREATING MELANOMA MC1R, TIE1, RB1 CTSL 2951/4885CTSS 3599/4885CTSK 2344/4885
US-20240398891-A1 COMPOSITIONS AND METHODS OF TREATING MELANOMA MC1R, TIE1, RB1 CTSL 2959/4885CTSS 3568/4885CTSK 2332/4885
US-20220072092-A1 COMPOSITIONS AND METHODS OF TREATING MELANOMA MC1R, TIE1, RB1 CTSL 2951/4885CTSS 3599/4885CTSK 2344/4885
US-11576987-B2 Compositions and methods of treating melanoma MC1R, TIE1, RB1 CTSL 3001/4885CTSS 3601/4885CTSK 2333/4885
US-20220111080-A1 COMPOSITIONS AND METHODS OF TREATING MELANOMA MC1R, TIE1, RB1 CTSL 3001/4885CTSS 3601/4885CTSK 2333/4885

“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.

Send feedback