SCHEMBL525178

SCHEMBL525178

Cc1cc(N)cc(C)c1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM6 O15303 1/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CISD2 Q8N5K1 1/20 0.42
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ ACHE P22303 1/20 0.34

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
SCHEMBL27909943 0.84 CYP2C9 (0.56) GRM6CYP2C9CYP2C19NPSR1CISD2
SCHEMBL24296963 0.81 CYP2C9 (0.43) GRM6CYP2C9CYP2C19NPSR1CISD2
SCHEMBL15359768 0.79 GRM6 (0.40) GRM6CYP2C9CYP2C19NPSR1CISD2
SCHEMBL2958146 0.79 CYP2C9 (0.42) GRM6CYP2C9CYP2C19NPSR1CISD2
SCHEMBL22032247 0.78 SRC (0.42) GRM6CYP2C9CYP2C19NPSR1CISD2
SCHEMBL22032204 0.78 CYP2C9 (0.41) GRM6CYP2C9CYP2C19NPSR1CISD2
SCHEMBL10073229 0.78 CYP3A4 (0.55) GRM6CISD2CA12CA1CA2
SCHEMBL22032135 0.77 CYP2C9 (0.40) GRM6CYP2C9CYP2C19NPSR1CISD2
SCHEMBL10073269 0.77 CYP2C9 (0.40) GRM6CYP2C9CYP2C19NPSR1CISD2
SCHEMBL3288448 0.77 ADRB2 (0.52) GRM6CA12CA1CA2CA9

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
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
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
EP-2598500-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2013-06-05 — — EP 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
WO-2012015972-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 — — 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 (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 GRM6 2942/4885CYP2C9 2253/4885CYP2C19 2332/4885
US-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 GRM6 2942/4885CYP2C9 2253/4885CYP2C19 2332/4885
US-20150259332-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 GRM6 2942/4885CYP2C9 2253/4885CYP2C19 2332/4885
US-11174251-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 GRM6 2942/4885CYP2C9 2253/4885CYP2C19 2332/4885
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 GRM6 2942/4885CYP2C9 2253/4885CYP2C19 2332/4885
US-10479783-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 GRM6 2942/4885CYP2C9 2253/4885CYP2C19 2332/4885
US-20130090310-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 GRM6 2942/4885CYP2C9 2253/4885CYP2C19 2332/4885
US-20170158683-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 GRM6 2942/4885CYP2C9 2253/4885CYP2C19 2332/4885
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 GRM6 2942/4885CYP2C9 2253/4885CYP2C19 2332/4885

“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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