SCHEMBL2772235

SCHEMBL2772235

Cc1ccc(OS(=O)(=O)C(F)(F)F)c(C(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
SRC P12931 2/20 0.46
TGFBR1 P36897 2/20 0.46
ABCB1 P08183 1/20 0.46
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL9217908 0.86 STS (0.44) LMNAMAPTHTTALDH1A1POLB
SCHEMBL7922665 0.84 CSNK2A1 (0.46) ALDH1A1
SCHEMBL12603661 0.84 HTT (0.45) TP53GAALMNAMAPTHTT
SCHEMBL3493018 0.83 HSD11B1 (0.46) SRCTGFBR1ABCB1LMNAMAPT
SCHEMBL9472224 0.83 ELANE (0.53) GAAABCB1LMNAMAPTHTT
SCHEMBL5937228 0.81 CYP46A1 (0.43) LMNAMAPTHTTALDH1A1NPSR1
SCHEMBL15403132 0.79 TP53 (0.55) TP53GAASRCTGFBR1ABCB1
SCHEMBL30785077 0.79 TP53 (0.66) TP53GAASRCTGFBR1ABCB1
SCHEMBL3964231 0.79 TP53 (0.66) TP53GAASRCTGFBR1ABCB1
SCHEMBL6647431 0.79 TDP1 (0.47) LMNAMAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448791-B Fxr agonists LILLY CO ELI 2011-11-16 CN disclosed
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
CN-101448791-A FXR agonists LILLY CO ELI (US) 2009-06-03 CN 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 TP53 4727/4885GAA 745/4885SRC 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.