Sugi Predict

Sugi Predict / Compounds / SCHEMBL18528367

SCHEMBL18528367

SCHEMBL18528367

N[C@@H](C(=O)O)[C@H](N)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.43
▸ SLC1A1 P43005 8/20 0.37
▸ SLC1A3 P43003 7/20 0.37
▸ SLC1A2 P43004 7/20 0.37
▸ USP2 O75604 1/20 0.34
▸ SLCO1B1 Q9Y6L6 1/20 0.34
▸ PTGS1 P23219 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GRB2 P62993 1/20 0.33
▸ PTPN1 P18031 2/20 0.31
▸ SLC7A11 Q9UPY5 1/20 0.31

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
SCHEMBL17234504 1.00 SLC7A5 (0.43) SLC7A5SLC1A1SLC1A3SLC1A2USP2
SCHEMBL17234503 1.00 SLC7A5 (0.43) SLC7A5SLC1A1SLC1A3SLC1A2USP2
SCHEMBL18528440 1.00 SLC7A5 (0.43) SLC7A5SLC1A1SLC1A3SLC1A2USP2
SCHEMBL318393 0.78 PTGS1 (0.33) SLC7A5PTGS1ALDH1A1MAPTGRB2
SCHEMBL188569 0.78 SLC7A5 (0.43) SLC7A5SLC1A1SLC1A3SLC1A2USP2
SCHEMBL188570 0.78 SLC7A5 (0.43) SLC7A5SLC1A1SLC1A3SLC1A2USP2
SCHEMBL647206 0.76 SLC7A5 (0.42) SLC7A5SLC1A1SLC1A3SLC1A2USP2
SCHEMBL13413615 0.76 SLC7A5 (0.42) SLC7A5SLC1A1SLC1A3SLC1A2USP2
SCHEMBL647205 0.76 SLC7A5 (0.42) SLC7A5SLC1A1SLC1A3SLC1A2USP2
SCHEMBL13413616 0.76 SLC7A5 (0.42) SLC7A5SLC1A1SLC1A3SLC1A2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 SLC7A5 131/4885SLC1A1 99/4885SLC1A3 128/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 SLC7A5 131/4885SLC1A1 99/4885SLC1A3 128/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 SLC7A5 131/4885SLC1A1 99/4885SLC1A3 128/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 SLC7A5 131/4885SLC1A1 99/4885SLC1A3 128/4885

“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.