Sugi Predict

Sugi Predict / Compounds / SCHEMBL3395053

SCHEMBL3395053

SCHEMBL3395053

O=C(O)CC1=NS(O)(O)c2ccccc2N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ MAPT P10636 4/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.38
▸ AKR1B1 P15121 2/20 0.36
▸ USP2 O75604 1/20 0.35
▸ CAPN1 P07384 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL390919 0.84 ALDH1A1 (0.65) ALDH1A1CA12CA1CA2CA9
SCHEMBL3389375 0.81 CA2 (0.40) ALDH1A1CA12CA1CA2CA9
SCHEMBL3391447 0.77 MAOB (0.44) ALDH1A1MEN1KMT2AUSP2CYP1A2
SCHEMBL3392363 0.76 KDM4E (0.43) CA12CA1CA2CA9MAPT
SCHEMBL3395055 0.76 AKR1C2 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL1522649 0.71 ALDH1A1 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL3391703 0.70 KDM4E (0.31) MAPTLMNA
SCHEMBL8761359 0.69 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL3389367 0.69 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL8815527 0.69 ALDH1A1 (0.42) ALDH1A1MAPTNPC1MEN1KMT2A

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 6 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-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 — — 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 (5 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 ALDH1A1 1494/4885CA12 4222/4885CA1 4881/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885CA12 4101/4885CA1 4367/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ALDH1A1 891/4885CA12 4557/4885CA1 4607/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ALDH1A1 1592/4885CA12 4493/4885CA1 4765/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885CA12 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.