SCHEMBL2444451

SCHEMBL2444451

O=S(=O)(N[C]1CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.53
OXTR P30559 2/20 0.51
HSD11B1 P28845 1/20 0.51
AVPR1A P37288 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
KDM1A O60341 1/20 0.48
SLC40A1 Q9NP59 1/20 0.48
MMP1 P03956 1/20 0.47
CYP19A1 P11511 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
KIF11 P52732 1/20 0.46

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
SCHEMBL14601685 0.81 MEN1 (0.65) MAPTMEN1KMT2ACA1CA2
SCHEMBL2372165 0.79 CA1 (0.55) CYP2C9MAPTMEN1KMT2AHTT
SCHEMBL13588309 0.78 CA1 (0.56) PTGES2OXTRHSD11B1AVPR1ACYP2D6
SCHEMBL7588697 0.78 PTGES2 (0.74) PTGES2HSD11B1CYP2D6CYP2C9MAPT
SCHEMBL2447504 0.77 FFAR4 (0.60) MAPTLMNAKIF11FFAR4
SCHEMBL2372477 0.77 OXTR (0.47) OXTRCYP2D6MAPTMEN1KMT2A
SCHEMBL7572845 0.76 KMT2A (0.67) PTGES2MEN1KMT2ACA1CA2
SCHEMBL7577535 0.75 CA1 (0.65) CYP2C9MAPTMEN1KMT2ALMNA
SCHEMBL20016816 0.75 HSD11B1 (0.46) PTGES2OXTRHSD11B1AVPR1ACYP2D6
SCHEMBL12054697 0.75 CA1 (0.53) PTGES2OXTRHSD11B1AVPR1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 US claimed
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 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-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS STS, ARSA, TST PTGES2 755/4885OXTR 4701/4885HSD11B1 90/4885

“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.