SCHEMBL2770741

SCHEMBL2770741

COC(=O)c1cc(C=O)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.62
ALDH1A1 P00352 3/20 0.50
CES2 O00748 1/20 0.43
CFTR P13569 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
XDH P47989 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FUT7 Q11130 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
SCHEMBL21609777 0.86 NOTUM (0.60) NOTUMALDH1A1CES2CFTRCA12
SCHEMBL29565315 0.86 NOTUM (0.60) NOTUMALDH1A1CES2CFTRCA12
SCHEMBL15123374 0.85 ALDH1A1 (0.51) NOTUMALDH1A1CA12CA1CA2
SCHEMBL3003629 0.84 NOTUM (0.44) NOTUMALDH1A1CES2CA12CA1
SCHEMBL1999038 0.84 NOTUM (0.77) NOTUMALDH1A1CES2CFTRCA12
SCHEMBL475762 0.84 NOTUM (0.77) NOTUMALDH1A1CES2CFTRCA12
SCHEMBL3591127 0.83 NOTUM (0.47) NOTUMCES2CA12CA1CA2
SCHEMBL24609716 0.82 ALDH1A1 (0.64) NOTUMALDH1A1CA12CA1CA2
SCHEMBL3000000 0.82 ALDH1A1 (0.64) ALDH1A1CA12CA1CA2CA7
SCHEMBL23531145 0.82 NOTUM (0.56) NOTUMALDH1A1CES2CFTRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021122645-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-06-24 WO disclosed
US-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 US 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-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US 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 (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-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 NOTUM 3794/4885ALDH1A1 263/4885CES2 1388/4885
US-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 NOTUM 1343/4885ALDH1A1 2072/4885CES2 611/4885

“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.