SCHEMBL6475411

SCHEMBL6475411

N#Cc1cccc(Oc2ncsc2C(=O)NCc2ccc(CC(N)=O)cc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.37
VNN1 O95497 2/20 0.37
F10 P00742 1/20 0.37
HSD17B13 Q7Z5P4 2/20 0.37
ROCK2 O75116 1/20 0.36
MAPK8 P45983 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.35
CHRM4 P08173 1/20 0.34
RIPK1 Q13546 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
PDPK1 O15530 1/20 0.34
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL6484313 0.93 SRD5A2 (0.38) ARVNN1HSD17B13SMN1; SMN2P2RX7
SCHEMBL6475413 0.86 F10 (0.37) F10ROCK2MAPK8
SCHEMBL6482198 0.85 HPGD (0.43) MAPK8SMN1; SMN2
SCHEMBL6476121 0.85 PDE4A (0.44) ARVNN1HSD17B13SMN1; SMN2CHRM4
SCHEMBL6474340 0.84 AR (0.39) ARVNN1HSD17B13SMN1; SMN2CHRM4
SCHEMBL6500806 0.83 PTGER4 (0.42) ARVNN1HSD17B13ROCK2SMN1; SMN2
SCHEMBL6483899 0.79 SMN1; SMN2 (0.41) ROCK2MAPK8SMN1; SMN2P2RX7
SCHEMBL6475669 0.77 EPHX2 (0.42) VNN1SMN1; SMN2P2RX7
SCHEMBL5373538 0.77 MAPK8 (0.50) MAPK8
SCHEMBL6483444 0.75 SMN1; SMN2 (0.42) VNN1SMN1; SMN2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355907-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP claimed
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-10-02 US claimed
US-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-07-10 US claimed
US-6559168-B2 3',5'-cyclic nucleotide phosphodiesterases (PDEs); disease related to eosinophils, such as asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-05-06 US claimed
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-09-05 US claimed
WO-2002060898-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO claimed
US-6894041-B2 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-05-17 US disclosed
US-6869945-B2 Pyrrolyl-and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-03-22 US disclosed
US-6559168-B2 3',5'-cyclic nucleotide phosphodiesterases (PDEs); disease related to eosinophils, such as asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-05-06 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 (3 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-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, NOX1, NOX3 AR 653/4885VNN1 3452/4885F10 4060/4885
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, PDE4A AR 994/4885VNN1 3805/4885F10 3493/4885
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE3B AR 1611/4885VNN1 3011/4885F10 3514/4885

“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.