Sugi Predict

Sugi Predict / Compounds / SCHEMBL1522569

SCHEMBL1522569

SCHEMBL1522569

CC(=O)Oc1ccc2c(c1)S(O)(O)N=C(c1c(O)c3cccnc3n(CCC(C)C)c1=O)N2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP2C9 P11712 2/20 0.39
▸ RXFP1 Q9HBX9 6/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ TP53 P04637 2/20 0.37
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ CNR1 P21554 1/20 0.33

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
SCHEMBL1522570 0.92 MAPK1 (0.48) MAPK1HSD17B10CYP2C9RXFP1THRB
SCHEMBL1522560 0.91 MAPK1 (0.42) MAPK1HSD17B10CYP2C9RXFP1THRB
SCHEMBL1522457 0.91 MAPK1 (0.42) MAPK1HSD17B10CYP2C9RXFP1THRB
SCHEMBL1523332 0.90 MAPK1 (0.40) MAPK1HSD17B10CYP2C9RXFP1THRB
SCHEMBL1523423 0.90 CYP2C9 (0.41) MAPK1HSD17B10CYP2C9RXFP1THRB
SCHEMBL1522828 0.90 MAPK1 (0.41) MAPK1HSD17B10CYP2C9RXFP1THRB
SCHEMBL1522703 0.89 CYP2C9 (0.48) MAPK1HSD17B10CYP2C9RXFP1THRB
SCHEMBL1523725 0.89 MAPK1 (0.41) MAPK1HSD17B10CYP2C9RXFP1THRB
SCHEMBL1522877 0.89 MAPK1 (0.41) MAPK1HSD17B10CYP2C9RXFP1THRB
SCHEMBL1522687 0.89 MAPK1 (0.40) MAPK1HSD17B10CYP2C9RXFP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 — — US claimed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 — — US claimed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 — — US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 — — EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 — — US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 — — US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 — — US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 — — 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-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885CYP2C9 682/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAPK1 739/4885HSD17B10 1422/4885CYP2C9 1503/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPK1 2328/4885HSD17B10 1335/4885CYP2C9 1715/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885CYP2C9 682/4885

“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.