SCHEMBL2183534

SCHEMBL2183534

COC(=O)CC(=O)CC1c2ccccc2C=CN1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.37
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2C19 P33261 1/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
USP2 O75604 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 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
SCHEMBL9112803 0.75 ALDH1A1 (0.46) P2RX4SMN1; SMN2ATMALDH1A1TDP1
SCHEMBL6230309 0.71 P2RX4 (0.45) P2RX4SMN1; SMN2NPC1RAB9AATM
SCHEMBL4664738 0.68 ATM (0.45) HTTSMN1; SMN2ATMALDH1A1TDP1
SCHEMBL6986189 0.67 P2RX4 (0.40) P2RX4SMN1; SMN2NPC1RAB9AATM
SCHEMBL6986196 0.67 P2RX4 (0.40) P2RX4SMN1; SMN2NPC1RAB9AATM
SCHEMBL3726102 0.66 ALDH1A1 (0.63) SMN1; SMN2NPC1RAB9AALDH1A1TDP1
SCHEMBL19116131 0.66 ALDH1A1 (0.54) HTTNPC1RAB9AALDH1A1TDP1
SCHEMBL9734306 0.65 HTT (0.56) HTTSMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL23187612 0.65 HTT (0.57) HTTSMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL31700113 0.65 HTR2C (0.48) P2RX4SMN1; SMN2NPC1RAB9AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 US disclosed
EP-2346863-A2 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS Elan Pharmaceuticals Inc. (US) 2011-07-27 EP disclosed
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. 2010-04-01 US disclosed
WO-2010028213-A2 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2010-03-11 WO 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-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS PSEN1, PSEN2, SULT1E1 P2RX4 189/4885HTT 262/4885SMN1; SMN2 101/4885

“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.