SCHEMBL13266367

SCHEMBL13266367

CCC(CC)C(=O)NC1CCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.49
CYP1A2 P05177 1/20 0.49
SIGMAR1 Q99720 1/20 0.46
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 2/20 0.41

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
SCHEMBL5197128 0.94 EPHX1 (0.56) EPHX1CYP1A2SIGMAR1KDM4EALDH1A1
SCHEMBL13266366 0.91 CYP1A2 (0.51) EPHX1CYP1A2SIGMAR1USP2TSHR
SCHEMBL21695556 0.89 SMN1; SMN2 (0.53) EPHX1CYP1A2SIGMAR1KDM4EALDH1A1
SCHEMBL21730449 0.82 EPHX1 (0.53) EPHX1CYP1A2SIGMAR1USP2TSHR
SCHEMBL13850703 0.82 CYP1A2 (0.45) EPHX1CYP1A2SIGMAR1USP2TSHR
SCHEMBL13114610 0.82 SMYD3 (0.44) EPHX1CYP1A2SIGMAR1USP2TSHR
SCHEMBL18914217 0.82 EPHX1 (0.51) EPHX1SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10284199 0.82 EPHX1 (0.51) EPHX1SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18949684 0.81 KDM4E (0.44) CYP1A2SIGMAR1USP2TSHRKDM4E
SCHEMBL10103544 0.81 SIGMAR1 (0.57) EPHX1SIGMAR1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-07-09 US disclosed
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2020-02-11 US disclosed
US-RE47396-E1 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-05-21 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-9566283-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-8324200-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 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-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 EPHX1 3352/4885CYP1A2 2611/4885SIGMAR1 4066/4885
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 EPHX1 3352/4885CYP1A2 2611/4885SIGMAR1 4066/4885
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 EPHX1 3352/4885CYP1A2 2611/4885SIGMAR1 4066/4885
US-20170158683-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 EPHX1 3191/4885CYP1A2 2264/4885SIGMAR1 4211/4885

“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.