SCHEMBL5435786

SCHEMBL5435786

CC1(C)CC(S(=O)(=O)Cc2ccccc2Cl)=NO1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AKR1B1 P15121 1/20 0.42
TXNRD1 Q16881 1/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 4/20 0.39
HTT P42858 3/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSD11B1 P28845 1/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL3718639 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2ALMNANPSR1
SCHEMBL14983762 0.80 SOD1 (0.36)
SCHEMBL5289822 0.80 KDM4E (0.47) ALDH1A1NPC1KDM4EKMT2ALMNA
SCHEMBL3149637 0.79 OPRM1 (0.38)
SCHEMBL5558958 0.78 CYP1A2 (0.39) ALDH1A1NPC1KDM4EKMT2ALMNA
SCHEMBL14320064 0.78 MMP13 (0.32) ALDH1A1KMT2ALMNANPSR1MAPT
SCHEMBL12555709 0.77 TSHR (0.36) ALDH1A1KDM4EKMT2ALMNANPSR1
SCHEMBL14364489 0.77 ALDH1A1 (0.31) ALDH1A1LMNASMN1; SMN2
SCHEMBL20855343 0.76 SMN1; SMN2 (0.33) LMNASMN1; SMN2
Fenoxasulfone SCHEMBL2470273 0.75 SMN1; SMN2 (0.35) ALDH1A1NPC1KDM4EKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161513-A1 3-[1-halo-1-arylmethanesulfonyl]- and 3-[1-halo-1-heteroarylmethanesulfonyl]- isoxazoline derivatives, processes for preparing them, and use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2007-07-12 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-20070161513-A1 3-[1-halo-1-arylmethanesulfonyl]- and 3-[1-halo-1-heteroarylmethanesulfonyl]- isoxazoline derivatives, processes for preparing them, and use as herbicides and plant growth regulators HDHD5, HAX1, OSR1 ALDH1A1 505/4885NPC1 3998/4885KDM4E 2171/4885

“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.