SCHEMBL4131224

SCHEMBL4131224

COc1ncccc1-n1nc(CCNC(=O)O)cc1S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
SMO Q99835 1/20 0.36
NAMPT P43490 3/20 0.36
CYP2C9 P11712 1/20 0.36
RAB9A P51151 2/20 0.35
F2 P00734 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
SLC12A2 P55011 1/20 0.34
SLC12A5 Q9H2X9 1/20 0.34
TP53 P04637 1/20 0.34
NR1I2 O75469 1/20 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
SCHEMBL4135836 0.85 HTT (0.37) ALDH1A1HTTL3MBTL1ATMNAMPT
SCHEMBL4126131 0.85 HTT (0.37) ALDH1A1HTTL3MBTL1ATMNAMPT
SCHEMBL4137769 0.83 HTT (0.36) P2RX7ALDH1A1HTTL3MBTL1ATM
SCHEMBL4125767 0.82 NFE2L2 (0.39) MAPTNAMPTNPC1
SCHEMBL4131220 0.82 SMO (0.35) P2RX7ALDH1A1KDM4ESMONAMPT
Fumaric Acid SCHEMBL3704711 0.81 P2RX7 (0.36) P2RX7ALDH1A1KDM4ESMONAMPT
Fumaric Acid SCHEMBL3704715 0.81 P2RX7 (0.36) P2RX7ALDH1A1KDM4ESMONAMPT
SCHEMBL3697760 0.81 NR1I2 (0.35) P2RX7SMONAMPTCYP2C9RAB9A
SCHEMBL476390 0.80 HTT (0.39) P2RX7ALDH1A1HTTKDM4ENAMPT
SCHEMBL4125774 0.80 SMN1; SMN2 (0.36) P2RX7ALDH1A1NAMPTTSHRSMN1; SMN2

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 P2RX7 1303/4885ALDH1A1 1497/4885HTT 3967/4885

“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.