SCHEMBL4084648

SCHEMBL4084648

Fc1ccc(Cc2cccs2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADRA1D P25100 2/20 0.38
BMP1 P13497 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3236567 0.79 HPGD (0.53) PTGS1PTGS2TAAR1LMNAHPGD
SCHEMBL28571991 0.78 MAPK1 (0.56) PTGS1PTGS2TAAR1MEN1KMT2A
SCHEMBL28817472 0.77 PTGS1 (0.46) PTGS1PTGS2TAAR1MEN1KMT2A
SCHEMBL3299911 0.75 CYP17A1 (0.52) ALDH1A1CYP17A1CYP11B1CYP11B2HTT
SCHEMBL923302 0.75 MEN1 (0.53) TAAR1MEN1KMT2ALMNAALDH1A1
SCHEMBL6222184 0.74 CA1 (0.57) PTGS1PTGS2TAAR1ALDH1A1ADRA1D
SCHEMBL29152299 0.74 PTGS1 (0.51) PTGS1PTGS2TAAR1MEN1KMT2A
SCHEMBL27959690 0.74 NPC1 (0.56) TAAR1MEN1KMT2ALMNAHPGD
SCHEMBL28047877 0.74 KCNH2 (0.46) PTGS1PTGS2TAAR1MEN1KMT2A
SCHEMBL9625952 0.74 CYP2D6 (0.49) PTGS1PTGS2TAAR1LMNAALDH1A1

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
CN-110192294-B Lithium electrode and lithium secondary battery comprising same 株式会社LG新能源 2022-09-20 CN claimed
CN-111033864-B Electrolyte for lithium metal battery and lithium metal battery comprising same 株式会社LG新能源 2022-08-12 CN claimed
CN-110192294-B Lithium electrode and lithium secondary battery comprising same 株式会社LG新能源 2022-09-20 CN disclosed
CN-111033864-B Electrolyte for lithium metal battery and lithium metal battery comprising same 株式会社LG新能源 2022-08-12 CN disclosed
CN-113396364-A Resist underlayer composition and method for forming pattern using the same 三星SDI株式会社 2021-09-14 CN disclosed
CN-107848283-B Anisotropic conductive film and display device using the same 国都化学(株) 2021-04-13 CN disclosed
US-7482355-B2 Asthma, antiallergens; rheumatoid arthritis and atherosclerosis; 2-(Benzylthio)-6-{[(1R)-2-hydroxy-1-methylethyl]amino}-4-pyrimidinol ASTRAZENECA AB (SE) 2009-01-27 US disclosed
US-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2006-01-05 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-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity CXCR2, CXCR1, ACKR3 PTGS1 338/4885PTGS2 1055/4885TAAR1 846/4885

“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.