SCHEMBL4120397

SCHEMBL4120397

Cn1cc(S(=O)(=O)c2sc(CCNC(=O)O)nc2-c2ccccc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
PDE10A Q9Y233 1/20 0.36
TP53 P04637 1/20 0.35
NAMPT P43490 3/20 0.35
SLC6A9 P48067 2/20 0.35
LIPC P11150 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
AADAT Q8N5Z0 1/20 0.34
USP28 Q96RU2 1/20 0.33
USP25 Q9UHP3 1/20 0.33
OPRK1 P41145 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL4118513 0.87 MAPT (0.37) MAPTTP53ALDH1A1TSHRPOLB
SCHEMBL16333245 0.83 LMNA (0.35) HPGDLMNANAMPTKDM4EALDH1A1
SCHEMBL4120389 0.83 HTR1A (0.33) HPGDLMNANAMPTSLC6A9ALDH1A1
SCHEMBL4132297 0.83 KMT2A (0.39) TP53NAMPTALDH1A1NPC1POLB
Hydrochloric Acid SCHEMBL3699931 0.82 LMNA (0.35) HPGDLMNANAMPTALDH1A1NPC1
SCHEMBL4135584 0.81 GAA (0.39) MAPTTP53NAMPTALDH1A1NPC1
SCHEMBL4129177 0.80 KAT6A (0.39) MAPTTP53ALDH1A1TSHRNPC1
SCHEMBL4119867 0.80 MAPT (0.41) MAPTLMNATP53NAMPTKDM4E
SCHEMBL3694896 0.79 LMNA (0.31) HPGDLMNANAMPTSLC6A9
SCHEMBL4118179 0.79 HTR6 (0.37) MAPTHPGDLMNAPDE10ATP53

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 MAPT 4258/4885HPGD 832/4885LMNA 4283/4885

“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.