SCHEMBL966612

SCHEMBL966612

O=C(O)N(Cc1ccccc1)S(=O)(=O)NCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
EPHX1 P07099 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
GBA1 P04062 1/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 1/20 0.43
MAPK1 P28482 1/20 0.43
CXCR3 P49682 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL964699 0.93 GBA1 (0.50) KMT2AALDH1A1MEN1NPSR1SMN1; SMN2
SCHEMBL963729 0.81 NPSR1 (0.54) KMT2AALDH1A1MEN1HTTNPSR1
SCHEMBL4600946 0.80 ALDH1A1 (0.55) KMT2AALDH1A1MEN1HTTNPSR1
SCHEMBL963555 0.75 HSD11B1 (0.46) KMT2AALDH1A1MEN1NPSR1NPC1
SCHEMBL963548 0.73 CA12 (0.47) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL966590 0.70 CA12 (0.49) KMT2AALDH1A1MEN1HTTNPC1
SCHEMBL7886816 0.70 GBA1 (0.83) BCL2L1MCL1KMT2AALDH1A1MEN1
SCHEMBL16106552 0.70 HSD11B1 (0.47) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL8396377 0.70 GBA1 (0.83) BCL2L1MCL1KMT2AALDH1A1MEN1
SCHEMBL962182 0.69 L3MBTL1 (0.48) KMT2AALDH1A1MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG BCL2L1 2197/4885MCL1 3693/4885KMT2A 2017/4885

“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.