SCHEMBL525434

SCHEMBL525434

Cc1cc(NC(=O)C(F)(F)F)cc(C)c1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CISD2 Q8N5K1 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GRM6 O15303 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ABCC9 O60706 1/20 0.37
▸ ABCC8 Q09428 1/20 0.37
▸ KCNJ11 Q14654 1/20 0.37
▸ KCNJ8 Q15842 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36

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
SCHEMBL10073227 0.78 L3MBTL1 (0.53) CYP2C9CYP2C19CYP1A2L3MBTL1HDAC1
SCHEMBL15168423 0.75 PDK1 (0.52) CYP2C9CYP2C19CYP1A2L3MBTL1SMN1; SMN2
SCHEMBL27909943 0.75 CYP2C9 (0.56) CYP2C9CYP2C19L3MBTL1NPSR1CISD2
SCHEMBL22632899 0.74 L3MBTL1 (0.49) CYP2C9CYP2C19CYP1A2L3MBTL1HDAC1
SCHEMBL524517 0.74 HDAC1 (0.49) CYP2C9CYP2C19CYP1A2L3MBTL1HDAC1
SCHEMBL2406142 0.72 HTT (0.44) CYP2C9CYP2C19CYP1A2L3MBTL1NPSR1
SCHEMBL24296963 0.72 CYP2C9 (0.43) CYP2C9CYP2C19NPSR1CISD2SMN1; SMN2
SCHEMBL525178 0.72 GRM6 (0.44) CYP2C9CYP2C19L3MBTL1NPSR1CISD2
SCHEMBL10073355 0.71 L3MBTL1 (0.46) CYP2C9CYP2C19CYP1A2L3MBTL1HDAC1
SCHEMBL3120908 0.71 CA12 (0.48) HDAC1HDAC8HDAC6GAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-01-27 — — US disclosed
US-11174251-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2021-11-16 — — US disclosed
EP-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 — — EP disclosed
US-20200115371-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-04-16 — — US disclosed
US-10479783-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-11-19 — — US disclosed
US-RE47396-E1 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-05-21 — — US disclosed
US-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2018-06-14 — — US disclosed
US-9920041-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-03-20 — — US disclosed
US-20170158683-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-06-08 — — US disclosed
US-9611260-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-04-04 — — US disclosed
CN-103201280-B The compositions of suppression JAK approach and method 里格尔药品股份有限公司 2016-08-10 — — CN disclosed
US-20150259332-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2015-09-17 — — US disclosed
US-9067925-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-06-30 — — US disclosed
US-20130090310-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2013-04-11 — — US disclosed
US-8343954-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-01-01 — — US disclosed
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-02-02 — — 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 (9 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-20200115371-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2C9 2253/4885CYP2C19 2332/4885CYP1A2 2264/4885
US-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2C9 2253/4885CYP2C19 2332/4885CYP1A2 2264/4885
US-20150259332-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2C9 2253/4885CYP2C19 2332/4885CYP1A2 2264/4885
US-11174251-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CYP2C9 2253/4885CYP2C19 2332/4885CYP1A2 2264/4885
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2C9 2253/4885CYP2C19 2332/4885CYP1A2 2264/4885
US-10479783-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CYP2C9 2253/4885CYP2C19 2332/4885CYP1A2 2264/4885
US-20130090310-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2C9 2253/4885CYP2C19 2332/4885CYP1A2 2264/4885
US-20170158683-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2C9 2253/4885CYP2C19 2332/4885CYP1A2 2264/4885
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2C9 2253/4885CYP2C19 2332/4885CYP1A2 2264/4885

“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.

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