SCHEMBL3451972

SCHEMBL3451972

Cc1onc(-c2c(Cl)cccc2Cl)c1CO

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 3/20 0.57
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
NPC1 O15118 1/20 0.54
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.51
NR1H4 Q96RI1 3/20 0.50
PTGS2 P35354 1/20 0.50
GLA P06280 1/20 0.50
PKM P14618 1/20 0.50
SCN9A Q15858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.48

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
SCHEMBL2304253 0.85 L3MBTL1 (0.59) ALDH1A1L3MBTL1TSHRTDP1LMNA
SCHEMBL12168915 0.85 TDP1 (0.55) ALDH1A1L3MBTL1TSHRTDP1LMNA
SCHEMBL5511257 0.84 TDP1 (0.54) ALDH1A1L3MBTL1TSHRTDP1LMNA
SCHEMBL22790395 0.83 TDP1 (0.53) ALDH1A1L3MBTL1TSHRTDP1LMNA
SCHEMBL3452043 0.82 L3MBTL1 (0.59) ALDH1A1L3MBTL1TSHRTDP1LMNA
SCHEMBL19689543 0.81 L3MBTL1 (0.41) ALDH1A1L3MBTL1TSHRTDP1LMNA
SCHEMBL22790344 0.80 TDP1 (0.54) ALDH1A1L3MBTL1TSHRTDP1LMNA
SCHEMBL1096077 0.80 NR1H4 (0.70) NR1H4
SCHEMBL11527240 0.80 L3MBTL1 (0.54) ALDH1A1L3MBTL1TSHRTDP1LMNA
SCHEMBL1096115 0.79 NR1H4 (0.58) NR1H4

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108064223-B FXR (NR1H4) MODULATING COMPOUNDS CONTAINING HYDROXY GROUPS 吉利德科学公司 2021-06-01 CN disclosed
CN-108264506-B Isoflavone derivative, preparation method and medical application thereof 中国药科大学 2021-01-26 CN disclosed
WO-2020249064-A1 COMPOUNDS FOR MODULATING FXR NANJING RUIJIE PHARMA CO., LTD. (CN) 2020-12-17 WO disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
EP-3233850-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2017-10-25 EP disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
EP-1745027-A4 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-06-03 EP disclosed
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
EP-1745027-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM, LLC (BM) 2007-01-24 EP disclosed
WO-2005113519-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-01 WO disclosed
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION 2005-11-03 US disclosed
EP-1494663-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SmithKline Beecham Corporation (US) 2005-01-12 EP disclosed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 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 (3 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-20080114044-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD ALDH1A1 1651/4885L3MBTL1 4402/4885TSHR 559/4885
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss CTSK, CTSB, CTSD ALDH1A1 941/4885L3MBTL1 1531/4885TSHR 2623/4885
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 ALDH1A1 2674/4885L3MBTL1 4449/4885TSHR 308/4885

“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.