SCHEMBL9959424

SCHEMBL9959424

O=C(O)c1cc2ccc(O)nn2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.34
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA9 Q16790 5/20 0.34
CA6 P23280 4/20 0.34
CA7 P43166 4/20 0.34
CA14 Q9ULX7 4/20 0.34
CA4 P22748 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
PTGS2 P35354 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 3/20 0.33
TP53 P04637 2/20 0.33
CA3 P07451 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
TYR P14679 1/20 0.33

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
SCHEMBL30864281 0.81 LMNA (0.40) KDM4EMAPTPOLBGAAL3MBTL1
SCHEMBL9960165 0.80 CA1 (0.41) CA12CA1CA2CA9CA7
SCHEMBL9959674 0.77 TDP1 (0.38) CA12CA1CA2CA9CA6
SCHEMBL8887656 0.75 LMNA (0.44) KDM4EMAPTPOLBGAATSHR
SCHEMBL24369835 0.70 CA1 (0.45) CA12CA1CA2CA9CA7
SCHEMBL27582067 0.64 HCAR2 (0.45) KDM4EPOLBGAAL3MBTL1TSHR
SCHEMBL18048408 0.64 ALDH1A1 (0.32) KDM4EGAATSHRALDH1A1HPGD
SCHEMBL20602236 0.64 AHR (0.37) ALOX15
SCHEMBL31066545 0.63 NPC1 (0.41) KDM4EMAPTTSHRTP53ALDH1A1
SCHEMBL3813756 0.63 RPA1 (0.45) KDM4EMAPTL3MBTL1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655370-B1 COMPOSITIONS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
CN-103443099-A Compositions and methods for modulating FXR IRM LLC 2013-12-11 CN disclosed
EP-2655370-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-10-30 EP disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 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-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 CA12 2115/4885CA1 1260/4885CA2 1120/4885

“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.