SCHEMBL2372645

SCHEMBL2372645

O=S(=O)(N[C]1CC1)c1ccc(Br)cc1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.56
PFKFB4 Q16877 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
AKR1B1 P15121 1/20 0.42
PPARG P37231 1/20 0.41
CCR2 P41597 4/20 0.40
ACLY P53396 1/20 0.39
JAK1 P23458 1/20 0.39
EIF2AK3 Q9NZJ5 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
KMT2A Q03164 1/20 0.37
VSIR Q9H7M9 1/20 0.37
WDR5 P61964 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
SCHEMBL2444248 0.80 CA1 (0.52) NMT1KMT2A
SCHEMBL2372635 0.80 PFKFB3 (0.49) NMT1CYP3A4CYP2C9PPARGWDR5
SCHEMBL2371744 0.77 NMT1 (0.52) NMT1PFKFB4CYP3A4CYP2C9CYP2C19
SCHEMBL2371748 0.77 NMT1 (0.56) NMT1PFKFB4CYP3A4CYP2C9CYP2C19
SCHEMBL95946 0.76 NMT1 (0.52) NMT1PFKFB4CYP3A4CYP2C9CYP2C19
SCHEMBL2372648 0.75 KMT2A (0.51) NMT1KMT2A
SCHEMBL14930239 0.75 NMT1 (0.54) NMT1PFKFB4CYP3A4CYP2C9CYP2C19
SCHEMBL3020785 0.73 NMT1 (0.52) NMT1PFKFB4CYP3A4CYP2C9CYP2C19
SCHEMBL3014050 0.73 HTT (0.53) NMT1KMT2A
SCHEMBL15845179 0.72 AKR1B1 (0.50) NMT1PFKFB4CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547204-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS Bayer Intellectual Property GmbH (DE) 2013-01-23 EP claimed
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 US claimed
WO-2011113861-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 WO claimed
EP-2547204-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS Bayer Intellectual Property GmbH (DE) 2013-01-23 EP disclosed
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
WO-2011113861-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 WO 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 NMT1 1282/4885PFKFB4 1542/4885CYP3A4 402/4885

“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.