SCHEMBL2864238

SCHEMBL2864238

O=S(=O)(NCC1(Cc2ccccc2)CCCCC1)c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.49
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CCR2 P41597 1/20 0.38
CXCR4 P61073 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL9142976 0.82 TAAR1 (0.55) ACLYKMT2AALDH1A1POLBGAA
SCHEMBL9140674 0.77 ACLY (0.45) ACLYKMT2AALDH1A1POLBMEN1
SCHEMBL2867340 0.77 CCR1 (0.43) ACLYSMN1; SMN2
SCHEMBL9140049 0.77 KEAP1 (0.51) ALDH1A1SMN1; SMN2LMNAPOLBGAA
SCHEMBL9140603 0.76 ACLY (0.52) ACLYALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2857884 0.74 ALDH1A1 (0.44) KMT2AALDH1A1GAAMEN1
SCHEMBL2853527 0.73 ALDH1A1 (0.63) KMT2AALDH1A1SMN1; SMN2
SCHEMBL9141073 0.72 OPRM1 (0.54) ACLYKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9143782 0.72 CA12 (0.57) KMT2AALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9140530 0.70 ACLY (0.49) ACLYALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 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 (2 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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 ACLY 3000/4885KMT2A 1396/4885ALDH1A1 4075/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ACLY 3000/4885KMT2A 1396/4885ALDH1A1 4075/4885

“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.