SCHEMBL14738760

SCHEMBL14738760

COc1cc(C(=O)O)cc(C(N)=NO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 1/20 0.42
PARP1 P09874 2/20 0.42
CA12 O43570 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CASR P41180 1/20 0.41
TPMT P51580 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
SCHEMBL14738759 1.00 RXRA (0.45) RXRACA1CA2RECQLGAA
SCHEMBL6976229 1.00 RXRA (0.45) RXRACA1CA2RECQLGAA
SCHEMBL2698400 0.85 GAA (0.50) RECQLGAAKDM4EMAPTPARP1
SCHEMBL2698398 0.85 GAA (0.50) RECQLGAAKDM4EMAPTPARP1
SCHEMBL5526288 0.85 GAA (0.50) RECQLGAAKDM4EMAPTPARP1
SCHEMBL29278609 0.85 KDM4E (0.48) CA1CA2RECQLGAAKDM4E
SCHEMBL20963871 0.85 KDM4E (0.48) CA1CA2RECQLGAAKDM4E
SCHEMBL30614536 0.85 KDM4E (0.48) CA1CA2RECQLGAAKDM4E
SCHEMBL39734 0.83 CA1 (0.60) RXRACA1CA2KDM4ECA12
SCHEMBL20944029 0.82 KMT2A (0.49) RXRAGAAKDM4EPARP10

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
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
CN-111295382-A Bridged bicyclic compounds as modulators of farnesoid X receptors 百时美施贵宝公司 2020-06-16 CN disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US 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 (4 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY RXRA 11/4885CA1 1214/4885CA2 1856/4885
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 RXRA 65/4885CA1 4026/4885CA2 3424/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 RXRA 65/4885CA1 4026/4885CA2 3424/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY RXRA 11/4885CA1 1214/4885CA2 1856/4885

“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.