SCHEMBL3389375

SCHEMBL3389375

O=C(O)CC1=NS(O)(O)c2cc(O)ccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CAMK2A Q9UQM7 4/20 0.35
GRK6 P43250 2/20 0.33
AKR1B1 P15121 2/20 0.31
LCK P06239 1/20 0.31
FYN P06241 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
SCHEMBL3389367 0.86 ALDH1A1 (0.45) CA2CA12CA1CA4CA7
SCHEMBL3392363 0.81 KDM4E (0.43) CA2CA12CA1CA4CA7
SCHEMBL3395053 0.81 ALDH1A1 (0.48) CA2CA12CA1CA4CA7
SCHEMBL3391447 0.79 MAOB (0.44) ALDH1A1CYP2C9HPGD
Ether SCHEMBL6234273 0.78 ALDH1A1 (0.42) CA2CA12CA1CA4CA7
SCHEMBL3393388 0.76 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL3395055 0.73 AKR1C2 (0.43) ALDH1A1CYP2C9HPGDGRK6LCK
SCHEMBL3391703 0.72 KDM4E (0.31) LMNAHPGDTSHRNFKB1PMP22
SCHEMBL14338091 0.70 ALDH1A1 (0.47) CA2CA12CA1CA4CA7
SCHEMBL13712963 0.70 ALDH1A1 (0.44) CA12CA9ALDH1A1LMNACYP2C9

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 CA2 4395/4885CA12 4101/4885CA1 4367/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 CA2 4484/4885CA12 4557/4885CA1 4607/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT CA2 4440/4885CA12 4493/4885CA1 4765/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB CA2 4395/4885CA12 4101/4885CA1 4367/4885

“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.