SCHEMBL2680907

SCHEMBL2680907

Fc1ccc(N(Cl)Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ACHE P22303 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
IDO1 P14902 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL6821296 0.83 ALDH1A1 (0.38) ALDH1A1
SCHEMBL5677266 0.77 APP (0.38) APPCA1CA2CA7CA9
SCHEMBL20077315 0.73 APP (0.44) APPCA1CA2CA7CA9
SCHEMBL4305587 0.73 APP (0.44) APPCA1CA2CA7CA9
SCHEMBL17502241 0.71 APP (0.42) APPCA1CA2CA7CA9
SCHEMBL13499 0.71
SCHEMBL9834275 0.69 CES2 (0.41) APPCA1CA2ESR1ESR2
SCHEMBL20560247 0.69 MAPT (0.38) APPESR1ESR2IDO1ORAI1
SCHEMBL2457052 0.69 ALDH1A1 (0.43) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL1159443 0.69 CA3 (0.50) APPCA1CA2CA9ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680139-B2 Anti-neoplastic compounds, compositions and methods PROGENRA (US) 2014-03-25 US disclosed
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA 2012-05-10 US disclosed
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 WO 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
EP-0202697-B1 SEPARATION PROCESS FOR PARA-FLUORO-ANILINE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-12-27 EP disclosed
EP-0202697-A2 Separation process for para-fluoro-aniline SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-11-26 EP 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 APP 4484/4885CA1 4489/4885CA2 4145/4885
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS SERPINB1, TP53, CTSE APP 2751/4885CA1 406/4885CA2 1262/4885

“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.