SCHEMBL16702197

SCHEMBL16702197

Cn1nc(C(=O)O)c2c1-c1ccccc1OCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ NR1H4 Q96RI1 2/20 0.48
▸ TP53 P04637 3/20 0.45
▸ AURKA O14965 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ PIK3CD O00329 1/20 0.42
▸ PIK3R2 O00459 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PIK3R5 Q8WYR1 1/20 0.42
▸ PIK3R3 Q92569 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2174453 0.87 MAPT (0.64) MAPTPOLBNR1H4TP53KDM4E
SCHEMBL16702360 0.83 NR1H4 (0.53) MAPTPOLBNR1H4AURKACCNA2
SCHEMBL2187536 0.79 CDK2 (0.56) TP53AURKACCNA2CDK2PLK1
SCHEMBL2548370 0.75 MAPT (0.62) MAPTPOLBNR1H4TP53AURKA
SCHEMBL9832871 0.73 PTGS1 (0.49) MAPTPOLBNR1H4TP53CCNA2
SCHEMBL12240648 0.73 NOTUM (0.49) MAPTPOLBTP53AURKACCNA2
SCHEMBL2172630 0.72 POLB (0.53) MAPTPOLBNR1H4TP53PIK3CD
SCHEMBL8136875 0.71 CCNA2 (0.41) MAPTPOLBTP53AURKACCNA2
SCHEMBL16709822 0.71 NR1H4 (0.51) MAPTPOLBNR1H4TP53
SCHEMBL16709826 0.71 POLB (0.44) MAPTPOLBNR1H4TP53AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD (CN) 2021-08-19 — — US disclosed
US-11021446-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2021-06-01 — — US disclosed
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2020-08-06 — — US disclosed
US-10683271-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2020-06-16 — — US disclosed
US-10077240-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2018-09-18 — — US disclosed
EP-3065738-B1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
US-20170275256-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-09-28 — — US disclosed
US-9682939-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2017-06-20 — — US disclosed
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-11-24 — — US disclosed
EP-3065738-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-09-14 — — EP disclosed
WO-2015069666-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2015-05-14 — — 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 (7 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-10077240-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 MAPT 4447/4885POLB 4852/4885NR1H4 1/4885
US-11021446-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 MAPT 4447/4885POLB 4852/4885NR1H4 1/4885
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 MAPT 4447/4885POLB 4852/4885NR1H4 1/4885
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 MAPT 4447/4885POLB 4852/4885NR1H4 1/4885
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 MAPT 4447/4885POLB 4852/4885NR1H4 1/4885
US-20170275256-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 MAPT 4447/4885POLB 4852/4885NR1H4 1/4885
US-10683271-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 MAPT 4447/4885POLB 4852/4885NR1H4 1/4885

“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.

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