SCHEMBL10177027

SCHEMBL10177027

Cc1cc(C)c2c(c1)C(=O)OC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.42
ALOX5 P09917 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
CYP3A4 P08684 1/20 0.38
TYMS P04818 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL20811853 0.81 KCNJ1 (0.40) KCNJ1ALOX5MAOAMAOBCYP3A4
SCHEMBL14849269 0.78 KCNJ1 (0.38) KCNJ1ALOX5MAOAMAOBCYP3A4
SCHEMBL18704863 0.74 KCNJ1 (0.36) KCNJ1ALOX5MAOAMAOBCYP3A4
SCHEMBL19403173 0.74 KCNJ1 (0.36) KCNJ1ALOX5MAOAMAOBALDH1A1
SCHEMBL7639394 0.73 KCNJ1 (0.51) KCNJ1MAOAMAOBTYMSALDH1A1
SCHEMBL29568743 0.73 KCNJ1 (0.51) KCNJ1MAOAMAOBTYMSALDH1A1
SCHEMBL31264087 0.73 ALOX5 (0.41) KCNJ1ALOX5MAOAMAOBCYP3A4
SCHEMBL8873519 0.73 POLB (0.40) KCNJ1MEN1KMT2ATYMSALDH1A1
SCHEMBL286354 0.72 KCNJ1 (0.46) KCNJ1ALOX5MAOAMAOBCYP3A4
SCHEMBL1508681 0.71 TYMS (0.46) MEN1KMT2ATYMSALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 EP disclosed
US-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2018-06-14 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
US-8343954-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-01-01 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
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 (4 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-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 KCNJ1 4412/4885ALOX5 1033/4885MEN1 4078/4885
US-20150259332-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 KCNJ1 4412/4885ALOX5 1033/4885MEN1 4078/4885
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 KCNJ1 4412/4885ALOX5 1033/4885MEN1 4078/4885
US-20170158683-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 KCNJ1 4412/4885ALOX5 1033/4885MEN1 4078/4885

“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.