SCHEMBL2789889

SCHEMBL2789889

COC(=O)c1c(C(C)C)cnn1-c1c(F)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.38
ABL1 P00519 2/20 0.34
SRC P12931 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RORC P51449 2/20 0.33
P2RX7 Q99572 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ALDH1A1 P00352 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
BDKRB1 P46663 1/20 0.32
KLKB1 P03952 1/20 0.32
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32

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
SCHEMBL1097175 0.77 NR1H4 (0.41) ALDH1A1
SCHEMBL2772785 0.77 CCR1 (0.34) CCR1RORCP2RX7
SCHEMBL2770326 0.73 CYP11B1 (0.39) P2RX7ALDH1A1
SCHEMBL2772485 0.72 KCNK3 (0.42) SMN1; SMN2P2RX7ALDH1A1
SCHEMBL2720902 0.66 CA12 (0.48) RORCSTIM1ORAI1BDKRB1
SCHEMBL6313307 0.65 TP53 (0.49) SMN1; SMN2ALDH1A1
SCHEMBL3774518 0.64 NR1H4 (0.39) CCR1P2RX7
SCHEMBL2773215 0.64 GABRA1 (0.39)
SCHEMBL13439894 0.64 CA12 (0.48) BDKRB1
SCHEMBL1994212 0.63 CA12 (0.55) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO 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 (1 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 CCR1 1483/4885ABL1 2531/4885SRC 2566/4885

“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.