SCHEMBL3394006

SCHEMBL3394006

Cc1cnc2c(c1)S(O)(O)N=C(CC(=O)O)N2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 2/20 0.33
GABRR1 P24046 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL3394008 0.86 ALDH1A1 (0.36) AGBL2GABRR1KDM4EMEN1ALDH1A1
SCHEMBL8761522 0.70 ALDH1A1 (0.33) AGBL2ALDH1A1
SCHEMBL3395053 0.67 ALDH1A1 (0.48) MEN1ALDH1A1MAPTKMT2A
SCHEMBL3389375 0.67 CA2 (0.40) ALDH1A1
SCHEMBL14338091 0.66 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL1522878 0.65 AKR1C3 (0.33)
SCHEMBL8286626 0.64 CA12 (0.45) MEN1ALDH1A1KMT2A
SCHEMBL17973028 0.60 AGBL2 (0.43) AGBL2GABRR1KDM4EALDH1A1MAPT
SCHEMBL2434696 0.59 MAPT (0.44) AGBL2GABRR1KDM4EMEN1ALDH1A1
SCHEMBL25168224 0.59 AGBL2 (0.51) AGBL2GABRR1KDM4EMEN1ALDH1A1

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
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 AGBL2 1849/4885GABRR1 3425/4885KDM4E 4352/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 AGBL2 1903/4885GABRR1 3263/4885KDM4E 4075/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT AGBL2 1163/4885GABRR1 3517/4885KDM4E 3897/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB AGBL2 1849/4885GABRR1 3425/4885KDM4E 4352/4885

“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.