Sugi Predict

Sugi Predict / Compounds / SCHEMBL6846285

SCHEMBL6846285

SCHEMBL6846285

C[C@](N)(C=O)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.45
▸ PTPN1 P18031 2/20 0.44
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CYP2A6 P11509 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ UGT2B7 P16662 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35

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
SCHEMBL27508894 0.80 CASR (0.51) CASRPTPN1CYP3A4CYP2D6SLC6A2
SCHEMBL28928737 0.80 PTPN1 (0.47) CASRPTPN1CYP3A4CYP2D6SLC6A2
SCHEMBL9274665 0.79 CASR (0.46) CASRPTPN1CYP3A4CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL12802175 0.78 CASR (0.45) CASRPTPN1CYP3A4CYP2D6SLC6A2
SCHEMBL2586021 0.77 KCNN4 (0.46) CYP3A4CYP2D6SLC6A2ALDH1A1CYP1A2
SCHEMBL27767538 0.77 PTPN1 (0.53) CASRPTPN1CYP3A4CYP2D6SLC6A2
SCHEMBL3983284 0.76 CASR (0.44) CASRPTPN1CYP3A4CYP2D6SLC6A2
SCHEMBL3984307 0.76 CASR (0.44) CASRPTPN1CYP3A4CYP2D6SLC6A2
SCHEMBL4069694 0.76 CASR (0.44) CASRPTPN1CYP3A4CYP2D6SLC6A2
SCHEMBL4267152 0.76 PTPN1 (0.43) CASRPTPN1CYP3A4CYP2D6SLC6A2

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-6767718-B2 CYCLODEPSIPEPTIDE INTERMEDIATES USED TO SYNTHESIZE NEW LIPODEPSIPEPTIDE ; ANTIBIOTICS; HAVE ANTIBACTERIAL ACTIVITY AGAINST GRAM POSITIVE BACTERIA; LESS TOXIC THAN ANTIBIOTIC DAPTOMYCIN BIOSOURCE PHARM, INC. 2004-07-27 — — US claimed
US-20030224475-A1 Lipodepsipeptide antibiotics and methods of preparation BIOSOURCE PHARM, INC. 2003-12-04 — — US claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP claimed
US-6767718-B2 CYCLODEPSIPEPTIDE INTERMEDIATES USED TO SYNTHESIZE NEW LIPODEPSIPEPTIDE ; ANTIBIOTICS; HAVE ANTIBACTERIAL ACTIVITY AGAINST GRAM POSITIVE BACTERIA; LESS TOXIC THAN ANTIBIOTIC DAPTOMYCIN BIOSOURCE PHARM, INC. 2004-07-27 — — US disclosed
US-20030224475-A1 Lipodepsipeptide antibiotics and methods of preparation BIOSOURCE PHARM, INC. 2003-12-04 — — 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-20030224475-A1 Lipodepsipeptide antibiotics and methods of preparation NPEPPS, MRPL38, LYPLA2 CASR 3858/4885PTPN1 2606/4885CYP3A4 4650/4885

“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.