SCHEMBL3591096

SCHEMBL3591096

CC=Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)O)C[C@H]1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCKR Q14397 2/20 0.36
RORC P51449 8/20 0.35
NR1H3 Q13133 2/20 0.35
NR1I2 O75469 1/20 0.35
NR1H2 P55055 1/20 0.35
SMO Q99835 1/20 0.35
MLYCD O95822 2/20 0.34
GRM1 Q13255 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL3591091 1.00 GCKR (0.36) GCKRRORCNR1H3NR1I2NR1H2
SCHEMBL104144 0.88 RORC (0.46) RORC
SCHEMBL104146 0.88 RORC (0.46) RORC
SCHEMBL104145 0.88 RORC (0.46) RORC
SCHEMBL103326 0.88 RORC (0.46) RORC
SCHEMBL102624 0.85 RORC (0.41) RORCNR1H3NR1I2NR1H2MLYCD
SCHEMBL102623 0.85 RORC (0.41) RORCNR1H3NR1I2NR1H2MLYCD
SCHEMBL3595444 0.78 RAD52 (0.36) RORCNR1H3NR1I2NR1H2
SCHEMBL3595442 0.78 RAD52 (0.36) RORCNR1H3NR1I2NR1H2
SCHEMBL3595439 0.78 RAD52 (0.36) RORCNR1H3NR1I2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 GCKR 58/4885RORC 19/4885NR1H3 2/4885

“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.