SCHEMBL17440223

SCHEMBL17440223

CO[C@@H]1CC(=O)CC[C@]1(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MMP2 P08253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLA1 P09884 2/20 0.32
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 1/20 0.32
ATP1B3 P54709 1/20 0.32
FXYD2 P54710 1/20 0.32
ATP1A4 Q13733 1/20 0.32
MAPK1 P28482 1/20 0.31
PAX8 Q06710 1/20 0.31
AKR1B10 O60218 2/20 0.31
AKR1B1 P15121 2/20 0.31

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
SCHEMBL17440219 1.00 THRB (0.35) THRBCYP3A4ALDH1A1MMP2MAPT
SCHEMBL17049004 0.76 MEN1 (0.33) CYP3A4MMP2MEN1KMT2AATP1A1
SCHEMBL2503198 0.72 GPBAR1 (0.35) CYP3A4MAPTKMT2AGPBAR1LMNA
SCHEMBL8969379 0.71 POLA1 (0.37) MMP2POLA1MAPK1LMNAFFAR3
SCHEMBL9722516 0.69 APLNR (0.36) MAPK1LMNAFFAR3
SCHEMBL17892417 0.67 ATP1A1 (0.37) THRBCYP3A4ALDH1A1MAPTMEN1
SCHEMBL17453514 0.67 ATP1A1 (0.37) THRBCYP3A4ALDH1A1MAPTMEN1
SCHEMBL17621373 0.67 ATP1A1 (0.37) THRBCYP3A4ALDH1A1MAPTMEN1
SCHEMBL17467688 0.67 THRB (0.39) THRBCYP3A4ALDH1A1MMP2MAPT
SCHEMBL17440249 0.67 NR1H4 (0.32) CYP3A4MEN1KMT2AATP1A1ATP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908895-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE CORPORATION (US) 2018-03-06 US disclosed
US-20160024109-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE HOLDINGS CORPORATION 2016-01-28 US disclosed
US-20160015695-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2016-01-21 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 (2 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-20160015695-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 THRB 1359/4885CYP3A4 1998/4885ALDH1A1 4431/4885
US-20160024109-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 THRB 1359/4885CYP3A4 1998/4885ALDH1A1 4431/4885

“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.