SCHEMBL3428550

SCHEMBL3428550

Oc1ccc[c]c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
EGFR P00533 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 2/20 0.33
FYN P06241 2/20 0.33
MMP9 P14780 2/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
CA3 P07451 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 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
SCHEMBL3231091 0.77 ALDH1A1 (0.43) ALOX15HSD17B10ALDH1A1EGFRCA2
SCHEMBL16719882 0.76 ALDH1A1 (0.37) ALOX15HSD17B10ALDH1A1EGFRCA2
SCHEMBL82438 0.74 TDP1 (0.34) ALDH1A1CA2LMNATDP1POLB
SCHEMBL5314612 0.74 CYP3A4 (0.41) ALOX15HSD17B10ALDH1A1HPGDTDP1
SCHEMBL81364 0.74
SCHEMBL15638061 0.74 ALDH1A1 (0.38) ALOX15HSD17B10ALDH1A1HPGDTDP1
SCHEMBL16719734 0.74 ALDH1A1 (0.35) ALOX15HSD17B10ALDH1A1EGFRCA2
SCHEMBL225527 0.73 TSHR (0.33) LMNATSHR
SCHEMBL456604 0.73 ACHE (0.33) TDP1CYP3A4TSHRTRPA1ATM
SCHEMBL6591152 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104168958-A Diaryl sulfonamides useful for the treatment of inflammation and cancer KANCERA AB 2014-11-26 CN claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-104168958-A Diaryl sulfonamides useful for the treatment of inflammation and cancer KANCERA AB 2014-11-26 CN disclosed
CN-102438990-B Substituted 2-acetamido-5-aryl-1, 2, 4-triazolones and use thereof BAYER SCHERING PHARMA AG 2014-08-20 CN disclosed
CN-103864704-A Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER SCHERING PHARMA AG 2014-06-18 CN disclosed
WO-2010146351-A1 INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-12-23 WO disclosed
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
CN-1291979-C Imidazole compounds and their use as adenosine deaminase inhibitors JUJISAWA PHARAMCEUTICAL CO LTD (JP) 2006-12-27 CN disclosed
CN-1319095-A Imidazole compounds and their use as adenosine deaminase inhibitors JUJISAWA PHARAMCEUTICAL CO LTD (JP) 2001-10-24 CN 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 ALOX15 1583/4885HSD17B10 3785/4885ALDH1A1 2646/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX ALOX15 3613/4885HSD17B10 708/4885ALDH1A1 1019/4885

“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.