Sugi Predict

Sugi Predict / Compounds / SCHEMBL1523402

SCHEMBL1523402

SCHEMBL1523402

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CYP2C9 P11712 3/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HTR3E A5X5Y0 2/20 0.31
▸ HTR3B O95264 2/20 0.31
▸ HTR3A P46098 2/20 0.31
▸ HTR3D Q70Z44 2/20 0.31
▸ HTR3C Q8WXA8 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL1523452 0.98 HSD17B10 (0.49) MAPK1HSD17B10CYP2C9NR1I2NPC1
SCHEMBL1523953 0.97 HSD17B10 (0.49) MAPK1HSD17B10CYP2C9NR1I2NPC1
SCHEMBL1523935 0.91 MAPK1 (0.48) MAPK1HSD17B10CYP2C9NR1I2NPC1
SCHEMBL1523401 0.91 MAPK1 (0.41) MAPK1HSD17B10CYP2C9NR1I2NPC1
SCHEMBL1522880 0.91 MAPK1 (0.59) MAPK1HSD17B10CYP2C9NR1I2NPC1
SCHEMBL1523450 0.90 HSD17B10 (0.41) MAPK1HSD17B10CYP2C9NR1I2NPC1
SCHEMBL1379947 0.89 HSD17B10 (0.59) MAPK1HSD17B10CYP2C9NR1I2NPC1
SCHEMBL1523951 0.89 HSD17B10 (0.41) MAPK1HSD17B10CYP2C9NR1I2NPC1
SCHEMBL28758783 0.88 MAPK1 (0.46) MAPK1HSD17B10CYP2C9NR1I2NPC1
SCHEMBL1377746 0.88 HSD17B10 (0.58) MAPK1HSD17B10CYP2C9NR1I2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 — — EP disclosed
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.