SCHEMBL6360258

SCHEMBL6360258

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.40
▸ CYP2C9 P11712 7/20 0.40
▸ TSHR P16473 6/20 0.40
▸ CYP2C19 P33261 6/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP1A2 P05177 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CASP1 P29466 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ ATM Q13315 2/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ BCHE P06276 1/20 0.37

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
SCHEMBL6359630 0.87 CTSL (0.41) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL6364053 0.81 CAPN1 (0.43) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL6364453 0.75 CAPN1 (0.45) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL6360484 0.75 CAPN1 (0.39) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL17921713 0.74 SYK (0.45) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL16156790 0.74 SYK (0.45) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL7214820 0.73 CPB1 (0.40) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL7214815 0.73 CPB1 (0.40) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL16156798 0.72 CTRB1 (0.40) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL14905978 0.72 CTRB1 (0.40) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1

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-6858591-B2 Antibiotic AA 896 analogs WYETH HOLDINGS CORPORATION (US) 2005-02-22 — — US disclosed
EP-1503998-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LTD. (GB) 2005-02-09 — — EP disclosed
WO-2003093252-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SULFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2003-11-13 — — WO 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 CYP3A4 1425/4885CYP2C9 1679/4885TSHR 2024/4885

“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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