SCHEMBL4838706

SCHEMBL4838706

COc1ccc(CN(c2cc(F)ccc2[N+](=O)[O-])S(=O)(=O)C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.45
TAS2R14 Q9NYV8 2/20 0.41
TXNRD1 Q16881 2/20 0.40
BMP1 P13497 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
CYP19A1 P11511 1/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN12 Q05209 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
SCHEMBL4840833 0.75 GAA (0.38) TXNRD1CYP19A1MMP1MMP9MMP13
SCHEMBL30958216 0.70 CYP19A1 (0.42) APLNRTXNRD1BMP1CYP19A1MMP1
SCHEMBL29648376 0.70 MEN1 (0.49) TAS2R14TXNRD1BMP1CYP19A1ALDH1A1
SCHEMBL19255100 0.70 TAS2R14 (0.55) APLNRTAS2R14BMP1LMNA
SCHEMBL26669279 0.70 MEN1 (0.49) TAS2R14TXNRD1BMP1CYP19A1ALDH1A1
SCHEMBL3621563 0.69 TDP1 (0.46) TXNRD1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL8520665 0.68 PTPN1 (0.44) APLNRTAS2R14TXNRD1BMP1CYP19A1
SCHEMBL7002851 0.68 KMT2A (0.50) TXNRD1ALDH1A1LMNAMEN1KMT2A
SCHEMBL18247326 0.68 APLNR (0.67) APLNRTAS2R14
SCHEMBL21930667 0.68 TAS2R14 (0.56) APLNRTAS2R14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 APLNR 4322/4885TAS2R14 2399/4885TXNRD1 2157/4885

“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.