Sugi Predict

Sugi Predict / Compounds / SCHEMBL1523036

SCHEMBL1523036

SCHEMBL1523036

O=c1c(C2=NS(O)(O)c3cc(OCc4ccccc4)ccc3N2)c(O)c2ccccc2n1NC1CCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTR3A P46098 2/20 0.38
▸ NR1I2 O75469 1/20 0.36
▸ MAOB P27338 3/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAOA P21397 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CREBBP Q92793 1/20 0.33
▸ CHEK1 O14757 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
SCHEMBL1523282 0.98 CYP2C9 (0.39) CYP2C9MAPK1HSD17B10HTR3ANR1I2
SCHEMBL1522900 0.98 CYP2C9 (0.38) CYP2C9MAPK1HSD17B10HTR3ANR1I2
SCHEMBL1523035 0.93 CYP2C9 (0.46) CYP2C9MAPK1HSD17B10HTR3ANR1I2
SCHEMBL1523279 0.91 CYP2C9 (0.46) CYP2C9MAPK1HSD17B10HTR3ANR1I2
SCHEMBL1522899 0.90 CYP2C9 (0.46) CYP2C9MAPK1HSD17B10HTR3ANR1I2
SCHEMBL1522396 0.89 CYP2C9 (0.51) CYP2C9MAPK1HSD17B10NR1I2KDM4E
SCHEMBL1523395 0.88 CYP2C9 (0.42) CYP2C9MAPK1HSD17B10HTR3ANR1I2
SCHEMBL1523401 0.87 MAPK1 (0.41) CYP2C9MAPK1HSD17B10HTR3ANR1I2
SCHEMBL1523498 0.86 MAOB (0.36) CYP2C9HTR3ANR1I2MAOBMTOR
SCHEMBL1523450 0.86 HSD17B10 (0.41) CYP2C9MAPK1HSD17B10NR1I2KDM4E

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
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 CYP2C9 682/4885MAPK1 1456/4885HSD17B10 1232/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 CYP2C9 1503/4885MAPK1 739/4885HSD17B10 1422/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT CYP2C9 1715/4885MAPK1 2328/4885HSD17B10 1335/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB CYP2C9 682/4885MAPK1 1456/4885HSD17B10 1232/4885

“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.