SCHEMBL13266366

SCHEMBL13266366

CCC(CC)C(=O)NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
SMYD3 Q9H7B4 1/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EPHX1 P07099 2/20 0.43
SIGMAR1 Q99720 1/20 0.41
EPHX2 P34913 2/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL13266367 0.91 EPHX1 (0.49) CYP1A2USP2TSHRKMT2ASMN1; SMN2
SCHEMBL5197128 0.90 EPHX1 (0.56) CYP1A2SMN1; SMN2EPHX1SIGMAR1EPHX2
SCHEMBL13114610 0.90 SMYD3 (0.44) CYP1A2USP2TSHRSMYD3KMT2A
SCHEMBL21695552 0.88 SMN1; SMN2 (0.47) CYP1A2USP2TSHRSMYD3KMT2A
SCHEMBL13850703 0.86 CYP1A2 (0.45) CYP1A2USP2TSHRSMYD3KMT2A
SCHEMBL13114605 0.86 SMYD3 (0.45) CYP1A2USP2TSHRSMYD3KMT2A
SCHEMBL21730449 0.86 EPHX1 (0.53) CYP1A2USP2TSHRSMYD3KMT2A
SCHEMBL18949684 0.85 KDM4E (0.44) CYP1A2USP2TSHRSIGMAR1EPHX2
SCHEMBL21695556 0.81 SMN1; SMN2 (0.53) CYP1A2SMN1; SMN2EPHX1SIGMAR1KDM4E
SCHEMBL10283928 0.80 SMYD3 (0.50) SMYD3KMT2AL3MBTL1EPHX1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP1A2 2611/4885USP2 1382/4885TSHR 3902/4885
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CYP1A2 2611/4885USP2 1382/4885TSHR 3902/4885
US-20170158683-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP1A2 2264/4885USP2 1340/4885TSHR 4061/4885

“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.