SCHEMBL7206400

SCHEMBL7206400

C#CC(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
ACP3 P15309 1/20 0.41
HSD11B1 P28845 1/20 0.39
KIF11 P52732 3/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
MGLL Q99685 1/20 0.39
SRD5A2 P31213 1/20 0.38
PDE2A O00408 1/20 0.38
GSK3B P49841 1/20 0.37
FFAR1 O14842 3/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PYCR1 P32322 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL29184903 0.82 ESR1 (0.46) TSHR
SCHEMBL5353277 0.79 TSHR (0.54) CES2CES1ACP3HSD11B1KIF11
SCHEMBL16118324 0.79 CES2 (0.39) CES2CES1AKR1C3AKR1C2ALDH1A1
SCHEMBL7200075 0.79 LMNA (0.43) KIF11SRD5A2FFAR1AKR1C3AKR1C2
SCHEMBL6908520 0.79 TSHR (0.54) CES2CES1ACP3HSD11B1KIF11
SCHEMBL18097781 0.77 CES2 (0.42) CES2CES1ACP3HSD11B1PDE2A
SCHEMBL10981745 0.77 PNMT (0.56) CES2ACP3MGLLTSHR
SCHEMBL28924136 0.76 CES2 (0.44) CES2CES1ACP3HSD11B1KIF11
SCHEMBL12469442 0.76 AOC3 (0.38) ALDH1A1TSHR
SCHEMBL132554 0.76 AOC3 (0.38) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399287-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
US-20230399287-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
EP-4237404-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2023-09-06 EP disclosed
WO-2022090724-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 WO disclosed
WO-2022090724-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 WO disclosed
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 US disclosed
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 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-20230399287-A1 NOVEL COMPOUNDS CNKSR1, RORC, HLA-DRB1 CES2 3187/4885CES1 570/4885ACP3 1484/4885
US-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 CES2 133/4885CES1 134/4885ACP3 4172/4885

“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.