SCHEMBL8736949

SCHEMBL8736949

Cc1ccc(Oc2ccc(SC(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 2/20 0.50
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TEAD4 Q15561 1/20 0.47
AR P10275 1/20 0.46
POLB P06746 3/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.43
PTPN1 P18031 1/20 0.41
LMNA P02545 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL28783009 0.89 PTPRZ1 (0.59) PTPRZ1ALDH1A1TDP1KDM4EPOLB
SCHEMBL765788 0.87 TDP1 (0.58) PTPRZ1ALDH1A1TDP1KDM4EMAPT
SCHEMBL19992016 0.82 PTPRZ1 (0.52) PTPRZ1ALDH1A1TDP1KDM4EMAPT
SCHEMBL22795275 0.81 TDP1 (0.52) PTPRZ1ALDH1A1TDP1KDM4EAR
SCHEMBL8737315 0.80 KDM4E (0.47) PTPRZ1ALDH1A1TDP1KDM4EPOLB
SCHEMBL16705589 0.80 PTPRZ1 (0.50) PTPRZ1ALDH1A1TDP1KDM4EPOLB
SCHEMBL5919287 0.78 PTPRZ1 (0.49) PTPRZ1ALDH1A1TDP1KDM4EPOLB
SCHEMBL10973567 0.77 LMNA (0.59) PTPRZ1ALDH1A1TDP1KDM4EPOLB
SCHEMBL15470620 0.76 TEAD4 (0.56) ALDH1A1TDP1TEAD4POLBMAPT
SCHEMBL24512641 0.76 PTPRZ1 (0.46) PTPRZ1ALDH1A1TDP1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096528-B2 2-aminonicotinic acid ester derivative and bactericide containing same as active ingredient AGRO-KANESHO CO., LTD. (JP) 2015-08-04 US disclosed
US-20150175551-A1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT AGRO-KANESHO CO., LTD. (JP) 2015-06-25 US disclosed
US-20150175551-A1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT AGRO-KANESHO CO., LTD. (JP) 2015-06-25 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 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 (5 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 PTPRZ1 2065/4885ALDH1A1 1451/4885TDP1 1729/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 PTPRZ1 2065/4885ALDH1A1 1451/4885TDP1 1729/4885
US-20150175551-A1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT HDHD5, BCAT1, ACMSD PTPRZ1 4069/4885ALDH1A1 2151/4885TDP1 4220/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF PTPRZ1 2252/4885ALDH1A1 2759/4885TDP1 2205/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF PTPRZ1 2252/4885ALDH1A1 2759/4885TDP1 2205/4885

“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.