SCHEMBL4444489

SCHEMBL4444489

Cc1ccc(C=O)c(S(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SRC P12931 1/20 0.40
HSD17B10 Q99714 1/20 0.38
ERN1 O75460 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP2A6 P11509 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM3 Q86V86 1/20 0.34
UBE2N P61088 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
SCHEMBL8654184 0.82 GAA (0.47) ALDH1A1GAAKDM4ESRCHSD17B10
SCHEMBL9418516 0.81 RAD51 (0.50) ALDH1A1GAAKDM4ESRCHSD17B10
Water SCHEMBL11384196 0.81 GAA (0.46) ALDH1A1GAAKDM4ESRCHSD17B10
SCHEMBL9418518 0.81 GAA (0.46) ALDH1A1GAAKDM4ESRCHSD17B10
SCHEMBL12593470 0.80 SMN1; SMN2 (0.52) ALDH1A1ERN1NPC1LMNA
SCHEMBL12153861 0.79 ALDH1A1 (0.39) ALDH1A1GAAKDM4ESRCHSD17B10
SCHEMBL1793926 0.78 ERN1 (0.46) ALDH1A1ERN1CYP2A6CA1CA2
SCHEMBL6076943 0.78 KDM4E (0.41) ALDH1A1KDM4EERN1
SCHEMBL14735611 0.78 RAD51 (0.49) ALDH1A1ERN1L3MBTL1LMNAKMT2A
SCHEMBL2600014 0.78 TDP1 (0.53) ALDH1A1KDM4EERN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015106164-A1 LXR AGONISTS AND USES THEREOF RGENIX, INC. (US) 2015-07-16 WO disclosed
US-20090209605-A1 NEMATICIDAL COMPOSITIONS DEVGEN N.V. (BE) 2009-08-20 US disclosed
US-20080146445-A1 Nematicidal Compositions DEVGEN NV (BE) 2008-06-19 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 (2 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-20090209605-A1 NEMATICIDAL COMPOSITIONS ACHE, DNPH1, NANP ALDH1A1 4082/4885GAA 1884/4885KDM4E 1146/4885
US-20080146445-A1 Nematicidal Compositions ACHE, DNPH1, NANP ALDH1A1 4082/4885GAA 1884/4885KDM4E 1146/4885

“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.