Sugi Predict

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SCHEMBL2867340

SCHEMBL2867340

O=S(=O)(NCC1(Cc2ccccc2)CCCCC1)c1ccccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.43
▸ ACLY P53396 1/20 0.41
▸ ALPL P05186 1/20 0.39
▸ SLC22A12 Q96S37 3/20 0.38
▸ SLC40A1 Q9NP59 1/20 0.38
▸ SLC6A9 P48067 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ RORC P51449 2/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GSPT1 P15170 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ BRD4 O60885 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
SCHEMBL2864238 0.77 ACLY (0.49) ACLYSMN1; SMN2
SCHEMBL12491364 0.77 SMN1; SMN2 (0.54) ALPLSLC22A12SLC40A1CYP2C19SMN1; SMN2
SCHEMBL9140049 0.75 KEAP1 (0.51) CYP3A4SMN1; SMN2
SCHEMBL9142976 0.75 TAAR1 (0.55) ACLYRORCNR1I2
SCHEMBL2853527 0.74 ALDH1A1 (0.63) SMN1; SMN2
SCHEMBL3688266 0.72 CA12 (0.51) CCR1ALPLSLC22A12SLC40A1TRPV4
SCHEMBL9140674 0.71 ACLY (0.45) CCR1ACLY
SCHEMBL2472040 0.71 CCR1 (0.47) CCR1ALPLSLC22A12SLC40A1SLC6A9
SCHEMBL9142938 0.71 MMP9 (0.45) CCR1SLC6A9NAMPTCYP3A4CYP2C19
SCHEMBL9143782 0.70 CA12 (0.57) CYP3A4SMN1; 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 8 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
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 CCR1 4361/4885ACLY 3000/4885ALPL 4609/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 CCR1 4361/4885ACLY 3000/4885ALPL 4609/4885

“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.