SCHEMBL4160849

SCHEMBL4160849

FC(F)(F)Oc1cccc(Nc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.59
GALR2 O43603 1/20 0.58
GALR1 P47211 1/20 0.58
EPHX2 P34913 2/20 0.57
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
AR P10275 1/20 0.54
KMT2A Q03164 1/20 0.54
SYK P43405 1/20 0.54
KIF11 P52732 1/20 0.53
SLC22A12 Q96S37 1/20 0.51
IGF1R P08069 1/20 0.48
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
PIM1 P11309 1/20 0.46
P2RX1 P51575 1/20 0.46

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
SCHEMBL1921305 0.94 KIF11 (0.58) CTSCGALR2GALR1EPHX2ALDH1A1
SCHEMBL1922066 0.89 KIF11 (0.54) CTSCGALR2GALR1EPHX2ALDH1A1
SCHEMBL1921306 0.87 EPHX2 (0.56) CTSCGALR2GALR1EPHX2ALDH1A1
SCHEMBL5540028 0.86 KIF11 (0.49) CTSCGALR2GALR1EPHX2ALDH1A1
SCHEMBL28151554 0.85 SLC22A12 (0.51) CTSCGALR2GALR1EPHX2ALDH1A1
SCHEMBL6109183 0.85 EPHX2 (0.53) CTSCEPHX2ALDH1A1MAPTMEN1
SCHEMBL23094132 0.82 KIF11 (0.49) CTSCGALR2GALR1EPHX2ALDH1A1
SCHEMBL6107695 0.82 AKR1C3 (0.61) EPHX2MEN1KMT2AKIF11GAA
SCHEMBL9189629 0.82 SLC22A12 (0.51) CTSCGALR2GALR1EPHX2ALDH1A1
SCHEMBL11125111 0.82 CTSC (0.56) CTSCEPHX2ALDH1A1MAPTMEN1

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
US-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST MEDSHINE DISCOVERY INC. (CN) 2021-03-25 US disclosed
EP-3750879-A1 PROSTACYCLIN RECEPTOR AGONIST Medshine Discovery Inc. (CN) 2020-12-16 EP disclosed
WO-2019154363-A1 PROSTACYCLIN RECEPTOR AGONIST 南京明德新药研发有限公司 2019-08-15 WO disclosed
EP-1699453-A4 CYCLIC GUANIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-07-01 EP disclosed
US-7301036-B2 Cyclic guanidines, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-11-27 US disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 US disclosed
EP-1699453-A1 CYCLIC GUANIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2006-09-13 EP disclosed
WO-2005065680-A1 CYCLIC GUANIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2005-07-21 WO 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-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST PTGIR, TBXA2R, PTGFR CTSC 2816/4885GALR2 62/4885GALR1 83/4885
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use GCGR, GLP1R, GCG CTSC 399/4885GALR2 19/4885GALR1 64/4885

“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.