SCHEMBL9959674

SCHEMBL9959674

COc1ccc2cc(C(=O)O)cn2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CA12 O43570 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TPMT P51580 1/20 0.38
HTT P42858 2/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
CA3 P07451 1/20 0.35
PKM P14618 1/20 0.35
CA5A P35218 1/20 0.35

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 0.79 LMNA (0.40) TDP1POLBKDM4EALDH1A1TPMT
SCHEMBL9959424 0.77 CA12 (0.34) TDP1POLBCA1CA2KDM4E
SCHEMBL8887656 0.73 LMNA (0.44) TDP1POLBKDM4EALDH1A1KDM5A
SCHEMBL17145452 0.69 GAA (0.43) TDP1POLBCA1CA2KDM4E
SCHEMBL22129472 0.69 MAPT (0.47) POLBCA1CA2KDM4EALDH1A1
SCHEMBL14964178 0.69 KDM4E (0.53) TDP1POLBKDM4ELMNARAB9A
SCHEMBL9960165 0.69 CA1 (0.41) TDP1POLBCA1CA2KDM4E
SCHEMBL20602128 0.67 AHR (0.34) MAPT
SCHEMBL23355414 0.67 RAB9A (0.50) TDP1CA1CA2KDM4ECA12
SCHEMBL24369835 0.66 CA1 (0.45) TDP1POLBCA1CA2KDM4E

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-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
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 TDP1 4844/4885POLB 4749/4885CA1 1260/4885

“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.