SCHEMBL3830811

SCHEMBL3830811

COC(=O)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.69
KIF11 P52732 1/20 0.55
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 2/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL18284422 0.88 NOTUM (0.58) NOTUMKIF11CA12CA1CA2
SCHEMBL5355256 0.87 NOTUM (0.56) NOTUMKIF11CA12CA1CA2
SCHEMBL752590 0.86 NOTUM (0.64) NOTUMCA12CA1CA2CA7
SCHEMBL15077182 0.86 NOTUM (0.55) NOTUMKIF11CA12CA1CA2
SCHEMBL14012580 0.86 NOTUM (0.64) NOTUMCA12CA1CA2CA7
SCHEMBL1997248 0.86 NOTUM (0.73) NOTUMCA12CA1CA2CA7
SCHEMBL12490655 0.84 NOTUM (0.54) NOTUMKIF11CA12CA1CA2
SCHEMBL30231213 0.83 KIF11 (0.53) NOTUMKIF11CA12CA1CA2
SCHEMBL28946880 0.83 KIF11 (0.53) NOTUMKIF11CA12CA1CA2
SCHEMBL3902096 0.83 NOTUM (0.69) NOTUMCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119325476-A Nitrogen-containing condensed 2, 3-dihydroquinazolinone compounds as NAV1.8 inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2025-01-17 CN disclosed
US-20230056202-A1 ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2023-02-23 US disclosed
US-11584726-B2 Amino alcohol derivative, pharmaceutical composition and application thereof BEIJING FORELAND PHARMA CO., LTD. (CN) 2023-02-21 US disclosed
US-20210347745-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF BEIJING FORELAND PHARMA CO., LTD. (CN) 2021-11-11 US disclosed
EP-3647309-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Beijing Foreland Pharma Co., Ltd. (CN) 2020-05-06 EP disclosed
US-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 US disclosed
EP-3131880-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2017-02-22 EP disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 US disclosed
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
WO-2015159233-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-10-22 WO disclosed
EP-2099748-B1 INSECTICIDAL BENZAMIDINES BAYER IP GMBH (DE) 2015-09-30 EP disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 WO disclosed
EP-2099748-A1 INSECTICIDAL BENZAMIDINES Bayer CropScience Aktiengesellschaft (DE) 2009-09-16 EP disclosed
WO-2007131680-A1 INSECTICIDAL BENZAMIDINES BAYER CROPSCIENCE AG (DE) 2007-11-22 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 (6 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-20210347745-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SSB, HLA-DRB1, LCP2 NOTUM 2499/4885KIF11 4041/4885CA12 2830/4885
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 NOTUM 1923/4885KIF11 3598/4885CA12 4227/4885
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC NOTUM 3081/4885KIF11 3777/4885CA12 4162/4885
US-11584726-B2 Amino alcohol derivative, pharmaceutical composition and application thereof SSB, HLA-DRB1, LCP2 NOTUM 2499/4885KIF11 4041/4885CA12 2830/4885
US-20230056202-A1 ANTI-MALARIAL AGENTS PYCR1, DHFR, QDPR NOTUM 1506/4885KIF11 2138/4885CA12 4717/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 NOTUM 2819/4885KIF11 3462/4885CA12 4575/4885

“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.