SCHEMBL15420711

SCHEMBL15420711

CCS(=O)(=O)N[C@H]1CCCO[C@@H]1COc1ccc(-c2ncc(F)cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.37
NPC1 O15118 5/20 0.37
SMN1; SMN2 Q16637 6/20 0.36
LMNA P02545 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 4/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
GRM5 P41594 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HCRTR2 O43614 1/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL15420657 0.92 HCRTR2 (0.38) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL15420523 0.90 NPC1 (0.44) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL15420407 0.89 GRIA2 (0.41) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL15420030 0.89 SCN9A (0.35) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL15420570 0.82 P2RX3 (0.38) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL15420142 0.82 NPC1 (0.41) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL15420213 0.82 LMNA (0.38) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL15420334 0.82 NPC1 (0.44) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL15441093 0.81 HCRTR2 (0.41) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL15420124 0.81 HCRTR2 (0.41) RAB9ANPC1SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 RAB9A 3305/4885NPC1 2770/4885SMN1; SMN2 770/4885

“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.