SCHEMBL17440309

SCHEMBL17440309

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
PAX8 Q06710 1/20 0.32
FFAR3 O14843 1/20 0.31
ATP1A1 P05023 1/20 0.31
ATP1B1 P05026 1/20 0.31
ATP1A3 P13637 1/20 0.31
ATP1B2 P14415 1/20 0.31
ATP1A2 P50993 1/20 0.31
ATP1B3 P54709 1/20 0.31
FXYD2 P54710 1/20 0.31
ATP1A4 Q13733 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
G6PD P11413 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 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
SCHEMBL17440235 1.00 NR1H4 (0.32) NR1H4GPBAR1PAX8FFAR3ATP1A1
SCHEMBL17440249 1.00 NR1H4 (0.32) NR1H4GPBAR1PAX8FFAR3ATP1A1
SCHEMBL17440243 0.78 VDR (0.36)
SCHEMBL17440312 0.78 VDR (0.36)
SCHEMBL8969379 0.76 POLA1 (0.37) FFAR3GMNNLMNABLMPMP22
SCHEMBL17440285 0.73 MMP2 (0.35) PAX8
SCHEMBL17440291 0.73 MMP2 (0.35) PAX8
SCHEMBL17453571 0.73 MMP2 (0.35) PAX8
SCHEMBL17440229 0.70 BTK (0.50) KMT2ACYP2C9
SCHEMBL17440258 0.70 BTK (0.50) KMT2ACYP2C9

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 NR1H4 3079/4885GPBAR1 3676/4885PAX8 4178/4885
US-20160024109-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 NR1H4 3079/4885GPBAR1 3676/4885PAX8 4178/4885

“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.