SCHEMBL6359630

SCHEMBL6359630

CO[C@@H]1O[C@H]([C@H](O)[C@@H](NC(=O)OCc2ccccc2)C(=O)O)[C@H]2OC(C)(C)O[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CYP3A4 P08684 9/20 0.41
▸ TSHR P16473 7/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CYP2C9 P11712 8/20 0.41
▸ CYP2C19 P33261 7/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ CYP1A2 P05177 5/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ CYP2D6 P10635 3/20 0.39

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
SCHEMBL6360258 0.87 CYP3A4 (0.40) CTSLCTSSCYP3A4TSHRALDH1A1
SCHEMBL17921713 0.77 SYK (0.45) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL16156790 0.77 SYK (0.45) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL6360285 0.76 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2AATM
SCHEMBL7214815 0.76 CPB1 (0.40) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL7214820 0.76 CPB1 (0.40) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL14905978 0.75 CTRB1 (0.40) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL16156798 0.75 CTRB1 (0.40) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL14905935 0.74 KYNU (0.43) CYP3A4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL16869639 0.73 CASP1 (0.46) CTSLCTSSCYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858591-B2 Antibiotic AA 896 analogs WYETH HOLDINGS CORPORATION (US) 2005-02-22 — — US disclosed
US-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives AMERICAN CYANAMID COMPANY 2003-05-08 — — US disclosed
WO-2002086139-A1 ANTIBIOTIC AA 896 ANALOGS WYETH HOLDINGS CORPORATION (US) 2002-10-31 — — WO 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-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives UMPS, METTL3, FPR3 CTSL 2129/4885CTSS 3983/4885CYP3A4 1425/4885

“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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