SCHEMBL19954552

SCHEMBL19954552

CC(C)c1cc(C(F)(F)F)nn1C1CC(O)C(O)C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.33
TGFBR1 P36897 2/20 0.33
IDO1 P14902 1/20 0.31
NR3C2 P08235 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
CYP2C19 P33261 1/20 0.30
CRHR2 Q13324 1/20 0.30
KCNN4 O15554 1/20 0.30

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
SCHEMBL19954577 0.92 MAP3K12 (0.31) MAP3K12TGFBR1
SCHEMBL19954665 0.86 LMNA (0.35) MAP3K12TGFBR1NR3C2KCNN4
SCHEMBL19105611 0.86 TGFBR1 (0.35) MAP3K12TGFBR1NR3C2CYP3A4CYP2D6
SCHEMBL19954523 0.85 TGFBR1 (0.35) MAP3K12TGFBR1NR3C2
SCHEMBL19954574 0.83 MAP3K12 (0.43) MAP3K12TGFBR1CYP3A4CYP2D6TSHR
SCHEMBL19954663 0.83 NR3C2 (0.38) MAP3K12TGFBR1NR3C2CYP3A4CYP2D6
SCHEMBL19954553 0.83 NR3C2 (0.40) MAP3K12TGFBR1NR3C2CYP3A4CYP2D6
SCHEMBL21023784 0.82 NR3C2 (0.36) MAP3K12TGFBR1NR3C2
SCHEMBL21024127 0.82 NR3C2 (0.40) MAP3K12TGFBR1NR3C2TSHRCYP2C19
SCHEMBL18164067 0.81 GAA (0.37) TGFBR1NR3C2CYP3A4CYP2D6TSHR

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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2019-08-27 US disclosed
EP-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP disclosed
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION 2018-08-09 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 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 (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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof ATP5F1A, ATP5ME, ATP5F1D MAP3K12 1341/4885TGFBR1 4644/4885IDO1 3655/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D MAP3K12 1341/4885TGFBR1 4644/4885IDO1 3655/4885

“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.