SCHEMBL6714868

SCHEMBL6714868

O=S(=O)(Nc1cccc(C2=NCCc3ccc(F)cc32)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
FFAR4 Q5NUL3 2/20 0.42
SERPINE1 P05121 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3B P49841 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
TRIM24 O15164 1/20 0.39
MAPK10 P53779 1/20 0.39
BRD4 O60885 1/20 0.39
ABL1 P00519 1/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL6716766 0.90 FBP1 (0.44) CASP3GPR119FFAR4SERPINE1DDB1
SCHEMBL6714852 0.90 TP53 (0.47) CASP3FFAR4DDB1CRBNTP53
SCHEMBL6717804 0.90 DDB1 (0.45) CASP3GPR119FFAR4SERPINE1DDB1
SCHEMBL7067036 0.85 HSD17B1 (0.46) DDB1CRBNSLC22A12MAPK10
SCHEMBL6724800 0.85 UQCRB (0.47) TP53MAPTMEN1NPC1RAB9A
SCHEMBL6714813 0.85 ERAP1 (0.46) CASP3GPR119FFAR4SERPINE1DDB1
SCHEMBL7215335 0.85 FBP1 (0.44) CASP3GPR119FFAR4SERPINE1DDB1
SCHEMBL6716742 0.84 PFKFB3 (0.48) MAPTMEN1KMT2ATRIM24SYK
SCHEMBL6718324 0.83 TSHR (0.47) CASP3FFAR4MAPTMEN1KMT2A
SCHEMBL6715039 0.82 CA1 (0.48) CASP3FFAR4DDB1CRBNTP53

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-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 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 (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-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A CASP3 1013/4885GPR119 851/4885FFAR4 3174/4885

“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.