SCHEMBL19954650

SCHEMBL19954650

CC(C)c1cc(C(F)(F)F)nn1C1CCN(S(C)(=O)=O)C(C)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.38
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
GAA P10253 1/20 0.31
RORC P51449 1/20 0.31
SMYD3 Q9H7B4 2/20 0.31
EPHX2 P34913 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 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
SCHEMBL18164102 0.85 GAA (0.39) PTGDR2ALDH1A1LMNAPTGS2MEN1
SCHEMBL18161199 0.84 PTGDR2 (0.37) PTGDR2EPHX2CCNT1CDK9
SCHEMBL19954582 0.80 GAA (0.38) PTGDR2ALDH1A1MEN1KMT2ATRPV1
SCHEMBL21023756 0.79
SCHEMBL19954607 0.78 GAA (0.36) PTGDR2MEN1KMT2AGAA
SCHEMBL19954587 0.77 AR (0.41) PTGS2MEN1KMT2ATRPV1CCNT1
SCHEMBL19105611 0.76 TGFBR1 (0.35) LMNAMEN1KMT2ATRPV1GAA
SCHEMBL19954637 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL21023784 0.76 NR3C2 (0.36) ALDH1A1LMNATRPV1GAA
SCHEMBL19954525 0.76 SMN1; SMN2 (0.37) ALDH1A1GAA

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
US-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2019-08-27 US 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 PTGDR2 3090/4885ALDH1A1 2111/4885LMNA 3599/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D PTGDR2 3090/4885ALDH1A1 2111/4885LMNA 3599/4885

“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.