SCHEMBL20115563

SCHEMBL20115563

NCC(CO)(CCOCc1ccccc1)CCOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.45
GBA1 P04062 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39
CA1 P00915 2/20 0.39
CHRM3 P20309 6/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRM1 P35372 1/20 0.39
SLC6A3 Q01959 1/20 0.39
IDO1 P14902 1/20 0.38
NAAA Q02083 1/20 0.37
AGXT P21549 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL8352025 0.90 KDM4E (0.53) KDM4EPOLBTSHRGBA1UGCG
SCHEMBL9241218 0.90 KDM4E (0.53) KDM4EPOLBTSHRGBA1UGCG
SCHEMBL29013648 0.79 KDM4E (0.48) KDM4EPOLBTSHRSLC6A2SLC6A3
SCHEMBL20076110 0.78 CHRM3 (0.46) KDM4EPOLBTSHRGBA1UGCG
SCHEMBL5375963 0.78 TSHR (0.68) KDM4EPOLBTSHRCA1SLC6A2
SCHEMBL9241304 0.77 KDM4E (0.51) KDM4EPOLBTSHRCA1CHRM3
SCHEMBL14672594 0.77 KDM4E (0.56) KDM4EPOLBTSHRGBA1UGCG
SCHEMBL30124003 0.77 KDM4E (0.56) KDM4EPOLBTSHRGBA1UGCG
SCHEMBL7134226 0.77 KDM4E (0.51) KDM4EPOLBTSHRCA1IDO1
SCHEMBL13950710 0.77 KDM4E (0.56) KDM4EPOLBTSHRGBA1UGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088093-B Acyl sulfonamide nav1.7 inhibitors 百时美施贵宝公司 2023-06-13 CN disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 US disclosed
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 US disclosed
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-13 US disclosed
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-13 US disclosed
WO-2018081384-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-03 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 (2 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-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors SCN7A, SCN1A, SCN8A KDM4E 1698/4885POLB 4384/4885TSHR 3245/4885
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS SCN7A, SCN1A, SCN8A KDM4E 1698/4885POLB 4384/4885TSHR 3245/4885

“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.