SCHEMBL2372477

SCHEMBL2372477

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.47
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPRZ1 P23471 3/20 0.40
PTPN1 P18031 2/20 0.40
MAPK1 P28482 1/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
ALOX12 P18054 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
SCHEMBL2371804 0.77 SMN1; SMN2 (0.52) OXTRALDH1A1KDM4ETDP1PTPRZ1
SCHEMBL2444451 0.77 PTGES2 (0.53) OXTRMAPK1MMP1MAPTKMT2A
SCHEMBL2371802 0.77 OXTR (0.47) OXTRALDH1A1KDM4ETDP1PTPRZ1
SCHEMBL2372479 0.75 SMN1; SMN2 (0.56) ALDH1A1KDM4ETDP1MAPK1KMT2A
SCHEMBL2372165 0.74 CA1 (0.55) ALDH1A1MAPK1MMP1MMP2MMP9
SCHEMBL2447504 0.73 FFAR4 (0.60) MAPTSMN1; SMN2KIF11LMNA
SCHEMBL1546684 0.72 ALDH1A1 (0.50) OXTRALDH1A1KDM4ETDP1PTPRZ1
SCHEMBL2372542 0.71 CA1 (0.58) ALDH1A1TDP1MAPK1MMP1MMP2
SCHEMBL2441215 0.71 CA1 (0.55) ALDH1A1KDM4EMMP1MMP2MMP9
SCHEMBL2371816 0.71 CES1 (0.64) ALDH1A1KDM4ETDP1MMP1MMP2

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-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 US 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 OXTR 4701/4885ALDH1A1 1980/4885KDM4E 2481/4885

“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.