SCHEMBL4137538

SCHEMBL4137538

CN(Cc1nc(-c2ccccc2F)c(S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)s1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.37
CACNA1H O95180 1/20 0.37
UBE2N P61088 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 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
SCHEMBL3649310 0.89 TSHR (0.40) TSHRPKMRAB9ATP53ALDH1A1
SCHEMBL3649312 0.88 TSHR (0.40) TSHRPKMRAB9ATP53ALDH1A1
SCHEMBL4118507 0.86 CA12 (0.37) PKMALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL4119370 0.85 GRM2 (0.41) TSHRALDH1A1TDP1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4125444 0.85 PKM (0.44) TSHRPKMRAB9ATP53ALDH1A1
SCHEMBL4137545 0.84 PKM (0.43) TSHRPKMRAB9ATP53ALDH1A1
SCHEMBL4129175 0.83 KAT6A (0.37) TP53ALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL3651203 0.82 ALDH1A1 (0.37) TSHRRAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL3653735 0.81 TAS2R14 (0.39) GAA
SCHEMBL4120389 0.79 HTR1A (0.33) ALDH1A1POLBLMNAHPGD

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 TSHR 1878/4885PKM 4108/4885RAB9A 167/4885

“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.