SCHEMBL4137545

SCHEMBL4137545

O=C(O)NCCc1nc(-c2ccccc2F)c(S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
PDE10A Q9Y233 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.39
CACNA1H O95180 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.37
MAP3K7 O43318 1/20 0.37
IRAK4 Q9NWZ3 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
SCHEMBL4118179 0.87 HTR6 (0.37) PKMTP53PDE10APOLBLMNA
SCHEMBL4118513 0.86 MAPT (0.37) TSHRTP53L3MBTL1POLBALDH1A1
SCHEMBL4119376 0.85 GRM2 (0.41) TSHRTP53L3MBTL1POLBLMNA
Hydrochloric Acid SCHEMBL4125444 0.85 PKM (0.44) PKMRAB9ATSHRTP53L3MBTL1
SCHEMBL4137538 0.84 TSHR (0.42) PKMRAB9ATSHRTP53L3MBTL1
SCHEMBL4129177 0.83 KAT6A (0.39) RAB9ATSHRTP53POLBALDH1A1
SCHEMBL4132039 0.82 NPC1 (0.43) RAB9ATSHRL3MBTL1POLBALDH1A1
SCHEMBL4119867 0.81 MAPT (0.41) TP53LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL3649312 0.81 TSHR (0.40) PKMRAB9ATSHRTP53L3MBTL1
SCHEMBL3649310 0.79 TSHR (0.40) PKMRAB9ATSHRTP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 PKM 4108/4885RAB9A 167/4885TSHR 1878/4885

“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.