SCHEMBL3395055

SCHEMBL3395055

COc1ccc2c(c1)NC(CC(=O)O)=NS2(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PTGS1 P23219 1/20 0.43
AKR1C3 P42330 1/20 0.43
KDM4E B2RXH2 3/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GRK6 P43250 3/20 0.37
LCK P06239 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 2/20 0.36
MMP2 P08253 1/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2C8 P10632 1/20 0.35

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
SCHEMBL3392363 0.90 KDM4E (0.43) AKR1C2HSD17B10PTGS1AKR1C3KDM4E
SCHEMBL3395051 0.87 ALDH1A1 (0.44) AKR1C2HSD17B10PTGS1AKR1C3KDM4E
SCHEMBL3392351 0.80 MAPT (0.46) AKR1C2HSD17B10PTGS1AKR1C3KDM4E
SCHEMBL1523744 0.77 AKR1C3 (0.48) AKR1C2HSD17B10PTGS1AKR1C3KDM4E
SCHEMBL3395053 0.76 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL3389375 0.73 CA2 (0.40) GRK6LCKALDH1A1HPGDCYP2C9
SCHEMBL3391447 0.72 MAOB (0.44) HSD17B10KDM4EALDH1A1MEN1HPGD
SCHEMBL5627690 0.70 KMT2A (0.43) KDM4EALDH1A1POLBMMP2MEN1
SCHEMBL1523741 0.67 AKR1C3 (0.48) AKR1C2PTGS1AKR1C3KDM4EPOLB
SCHEMBL1523640 0.67 AKR1C3 (0.48) AKR1C2HSD17B10PTGS1AKR1C3KDM4E

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-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 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
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO 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 AKR1C2 2990/4885HSD17B10 1232/4885PTGS1 792/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 AKR1C2 2357/4885HSD17B10 1422/4885PTGS1 88/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT AKR1C2 2757/4885HSD17B10 1335/4885PTGS1 283/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB AKR1C2 2990/4885HSD17B10 1232/4885PTGS1 792/4885

“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.