SCHEMBL18528355

SCHEMBL18528355

CC(=O)N[C@H](CSN=C(N)NCCC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.40
▸ FOLH1 Q04609 5/20 0.40
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GNPAT O15228 1/20 0.36
▸ RIMKLA Q8IXN7 1/20 0.35
▸ NAALAD2 Q9Y3Q0 1/20 0.35
▸ ECE1 P42892 1/20 0.35
▸ CHRM2 P08172 1/20 0.32

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
SCHEMBL17234500 1.00 SIRT5 (0.40) SIRT5FOLH1ITGB3ITGA2BMAPT
SCHEMBL24241844 0.86 MAPT (0.40) FOLH1ITGB3ITGA2BMAPTKDM4E
SCHEMBL24241881 0.83 FOLH1 (0.39) SIRT5FOLH1ITGB3ITGA2BMAPT
SCHEMBL17224704 0.79 GRM8 (0.39) ITGB3ITGA2BALOX15BLMECE1
SCHEMBL17224701 0.79 GRM8 (0.39) ITGB3ITGA2BALOX15BLMECE1
SCHEMBL17234498 0.78 ALDH1A1 (0.41) ITGB3ITGA2BMAPTKDM4ETHRB
SCHEMBL23566637 0.78 ALDH1A1 (0.41) ITGB3ITGA2BMAPTKDM4ETHRB
SCHEMBL23566522 0.76 ECE1 (0.37) ITGB3ITGA2BKDM4EECE1
SCHEMBL17234501 0.76 ECE1 (0.37) ITGB3ITGA2BKDM4EECE1
SCHEMBL21461391 0.73 MAPT (0.38) MAPTKDM4ETHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 — — US disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 — — EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 — — EP disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 — — US disclosed
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2019-10-17 — — US disclosed
US-10308597-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2019-06-04 — — US disclosed
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2017-02-23 — — 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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 SIRT5 3289/4885FOLH1 30/4885ITGB3 2978/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 SIRT5 2360/4885FOLH1 287/4885ITGB3 4144/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 SIRT5 2360/4885FOLH1 287/4885ITGB3 4144/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 SIRT5 2360/4885FOLH1 287/4885ITGB3 4144/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 SIRT5 2360/4885FOLH1 287/4885ITGB3 4144/4885

“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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