SCHEMBL411999

SCHEMBL411999

COCCOc1ncc(C(=O)O)cc1-c1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.50
CNR1 P21554 2/20 0.48
TACR2 P21452 1/20 0.48
ABL1 P00519 2/20 0.46
BCL9 O00512 5/20 0.41
CTNNB1 P35222 5/20 0.41
RARG P13631 2/20 0.40
KDM4C Q9H3R0 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
HCAR3 P49019 1/20 0.39
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL411537 0.90 KDM4C (0.50) CTSACNR1TACR2ABL1RARG
SCHEMBL2703056 0.85 CNR1 (0.63) CTSACNR1TACR2ABL1
SCHEMBL412338 0.82 CNR1 (0.48) CTSACNR1BCL9CTNNB1SLC22A12
SCHEMBL411082 0.81 CNR1 (0.49) CTSACNR1TACR2ABL1KDM4C
SCHEMBL14908756 0.81 HCAR3 (0.43) CTSACNR1TACR2ABL1RARG
SCHEMBL411079 0.80 CNR1 (0.53) CTSACNR1BCL9CTNNB1
SCHEMBL412325 0.76 ABL1 (0.45) CTSACNR1TACR2ABL1BCL9
SCHEMBL412179 0.75 BCL9 (0.54) CTSACNR1BCL9CTNNB1
SCHEMBL2703081 0.75 CNR1 (0.65) CTSACNR1TACR2ABL1
SCHEMBL411087 0.75 CNR1 (0.51) CTSACNR1TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103118680-B Heteroaryl carboxamides HOFFMAN-LA ROCHE LTD. (CH) 2015-12-16 CN disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
CN-103118680-A Heteroarylmethyl amides HOFFMANN LA ROCHE 2013-05-22 CN disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CTSA 375/4885CNR1 269/4885TACR2 1840/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CTSA 375/4885CNR1 269/4885TACR2 1840/4885

“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.