Sugi Predict

Sugi Predict / Compounds / SCHEMBL13748754

SCHEMBL13748754

SCHEMBL13748754

CC(C)c1c(O)cc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.52
▸ HSD17B10 Q99714 6/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 4/20 0.52
▸ GABRA1 P14867 1/20 0.48
▸ GABRB1 P18505 1/20 0.48
▸ CYP3A4 P08684 3/20 0.46
▸ RECQL P46063 2/20 0.46
▸ LMNA P02545 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ AHR P35869 1/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ MCL1 Q07820 2/20 0.37
▸ BCL2 P10415 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ BCL2L2 Q92843 1/20 0.37
▸ NR1I2 O75469 2/20 0.37
▸ TTR P02766 2/20 0.37
▸ PGR P06401 2/20 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
SCHEMBL19304128 0.82 GABRA1 (0.45) TSHRHSD17B10ALDH1A1HPGDGABRA1
SCHEMBL11985992 0.82 ALDH1A1 (0.47) TSHRHSD17B10ALDH1A1HPGDGABRA1
SCHEMBL24838149 0.79 GABRA1 (0.48) TSHRHSD17B10ALDH1A1HPGDGABRA1
SCHEMBL7033501 0.79 LMNA (0.45) TSHRHSD17B10ALDH1A1HPGDGABRA1
SCHEMBL24636780 0.74 HSD17B10 (0.52) TSHRHSD17B10ALDH1A1HPGDGABRA1
SCHEMBL16405337 0.73 RAPGEF4 (0.42) TSHRHSD17B10ALDH1A1HPGDGABRA1
SCHEMBL13220712 0.73 GABRA1 (0.56) TSHRHSD17B10ALDH1A1HPGDGABRA1
SCHEMBL2421445 0.72 TSHR (0.46) TSHRHSD17B10ALDH1A1HPGDGABRA1
SCHEMBL12160545 0.72 HSD17B10 (0.52) TSHRHSD17B10ALDH1A1HPGDGABRA1
SCHEMBL25454119 0.71 CYP3A4 (0.41) TSHRHSD17B10ALDH1A1HPGDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 — — US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 — — US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 — — US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 — — US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 — — US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 — — 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 TSHR 3268/4885HSD17B10 4006/4885ALDH1A1 3705/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 TSHR 3268/4885HSD17B10 4006/4885ALDH1A1 3705/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 TSHR 3268/4885HSD17B10 4006/4885ALDH1A1 3705/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 TSHR 3268/4885HSD17B10 4006/4885ALDH1A1 3705/4885

“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.