SCHEMBL3394008

SCHEMBL3394008

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
AGBL2 Q5U5Z8 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
GABRR1 P24046 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
FFAR1 O14842 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL3394006 0.86 AGBL2 (0.33) ALDH1A1AGBL2MEN1KMT2AGABRR1
SCHEMBL8761522 0.84 ALDH1A1 (0.33) ALDH1A1AGBL2
SCHEMBL14338091 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AUSP2KDM4E
SCHEMBL8286626 0.76 CA12 (0.45) ALDH1A1MEN1KMT2AUSP2
SCHEMBL1522878 0.75 AKR1C3 (0.33)
SCHEMBL393520 0.71
SCHEMBL8582268 0.69
SCHEMBL8761359 0.67 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AUSP2GABRR1
SCHEMBL3391846 0.64 MAOA (0.43) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL11974563 0.64 GABRR1 (0.35) ALDH1A1GABRR1

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 ALDH1A1 1434/4885AGBL2 1849/4885MEN1 4676/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ALDH1A1 891/4885AGBL2 1903/4885MEN1 4453/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ALDH1A1 1592/4885AGBL2 1163/4885MEN1 4797/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885AGBL2 1849/4885MEN1 4676/4885

“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.