SCHEMBL15420767

SCHEMBL15420767

O=C(O)N[C@H]1CCCO[C@@H]1COc1ccc(-c2ccc(F)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 4/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 4/20 0.38
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
CHRM1 P11229 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL15420211 0.83 GRIA2 (0.42) GRM5HSD17B10LMNAMAPK1POLB
SCHEMBL15420407 0.83 GRIA2 (0.41) GRM5HSD17B10LMNAMAPK1POLB
SCHEMBL15420302 0.83 SCN9A (0.40) GRM5HSD17B10LMNAMAPK1POLB
SCHEMBL15420322 0.80 GRM5 (0.41) GRM5
SCHEMBL15420431 0.80 P2RX3 (0.41) GRM5HSD17B10LMNARAB9ANPC1
Hydrochloric Acid SCHEMBL15421069 0.79 GRM5 (0.35) GRM5HSD17B10LMNAMAPK1POLB
SCHEMBL15420227 0.78 NPC1 (0.49) POLBRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15420610 0.72 GRIA2 (0.38) HSD17B10LMNAMAPK1RAB9ANPC1
SCHEMBL15420657 0.71 HCRTR2 (0.38) GRM5HSD17B10LMNAMAPK1RAB9A
SCHEMBL15420711 0.71 RAB9A (0.37) GRM5HSD17B10LMNAMAPK1RAB9A

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
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-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 GRM5 9/4885HSD17B10 1218/4885LMNA 4794/4885

“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.