SCHEMBL3393385

SCHEMBL3393385

CC(C)[Si](Oc1ccc2c(c1)S(=O)(=O)N=C(CC(=O)O)N2)(C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36
THRB P10828 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
RECQL P46063 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL3393388 0.89 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL3392351 0.84 MAPT (0.46) ALDH1A1LMNAMEN1USP2KMT2A
SCHEMBL1523451 0.80 ALDH1A1 (0.37) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL14338091 0.78 ALDH1A1 (0.47) ALDH1A1LMNAMEN1USP2KMT2A
SCHEMBL3391436 0.77 MEN1 (0.49) ALDH1A1MEN1USP2KMT2ACYP1A2
SCHEMBL335046 0.76 ALDH1A1 (0.45) ALDH1A1LMNAMEN1USP2KMT2A
SCHEMBL3389367 0.76 ALDH1A1 (0.45) ALDH1A1LMNAMEN1USP2KMT2A
SCHEMBL13712963 0.75 ALDH1A1 (0.44) ALDH1A1LMNAMEN1USP2KMT2A
SCHEMBL3395051 0.75 ALDH1A1 (0.44) ALDH1A1LMNAMEN1USP2KMT2A
Ether SCHEMBL6234273 0.74 ALDH1A1 (0.42) ALDH1A1LMNAMEN1USP2KMT2A

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 1434/4885LMNA 3232/4885MEN1 4676/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ALDH1A1 891/4885LMNA 4000/4885MEN1 4453/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ALDH1A1 1592/4885LMNA 4225/4885MEN1 4797/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885LMNA 3232/4885MEN1 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.