SCHEMBL16019385

SCHEMBL16019385

CC(C)(C)C(C)(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
G6PD P11413 1/20 0.38
IDE P14735 1/20 0.38
ENPP2 Q13822 2/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 1/20 0.35
PNMT P11086 1/20 0.34
PTGS2 P35354 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
SCHEMBL16019376 0.79 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAGLA
SCHEMBL16019362 0.79 CCR2 (0.41) ALDH1A1RAB9A
SCHEMBL16019358 0.79 KDM4E (0.37) SMN1; SMN2KIF11PTGS2
SCHEMBL16019377 0.78 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNAGLAPTGS2
SCHEMBL16019390 0.75 TDP1 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL16019394 0.75 TRPV4 (0.43) PTGS2
SCHEMBL16019391 0.74 PTGS2 (0.33) SMN1; SMN2ALDH1A1LMNAPTGS2
SCHEMBL14349353 0.74 BCAT2 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL12406437 0.72 SMN1; SMN2 (0.41) SMN1; SMN2KIF11ALDH1A1LMNAENPP2
SCHEMBL14349351 0.71 ENPP2 (0.48) SMN1; SMN2KIF11ALDH1A1ENPP2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 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 (1 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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 SMN1; SMN2 4594/4885KIF11 3703/4885ALDH1A1 861/4885

“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.