SCHEMBL5440887

SCHEMBL5440887

Cc1cc(O)nc2cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.46
KDM4E B2RXH2 6/20 0.46
MAPT P10636 5/20 0.46
POLB P06746 1/20 0.41
ACHE P22303 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK14 Q16539 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5778673 0.91 KDM4E (0.42) MPOKDM4EMAPTPOLBACHE
SCHEMBL13802956 0.81 KDM4E (0.54) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL14960133 0.81 POLB (0.61) MPOKDM4EMAPTPOLBACHE
SCHEMBL27903222 0.79 KDM4E (0.49) KDM4EMAPTPOLBMAPK14
SCHEMBL5437258 0.78 KDM4E (0.49) MPOKDM4EMAPTPOLBACHE
SCHEMBL6791268 0.78 F2 (0.51) MPOKDM4EMAPTPOLBACHE
SCHEMBL4580511 0.78 MDM4 (0.44) KDM4EMAPTPOLBACHEKMT2A
SCHEMBL5781235 0.77 KMT2A (0.51) KDM4EMAPTPOLBKMT2AMEN1
SCHEMBL2124975 0.76 KDM4E (0.46) MPOKDM4EMAPTACHEKMT2A
SCHEMBL5433758 0.75 KDM4E (0.56) MPOKDM4EMAPTPOLBACHE

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-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 EP disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 CN disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
EP-3873605-A1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 EP disclosed
CN-112969504-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-15 CN disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20070185079-A1 Therapeutic agents I ASTRAZENECA AB (SE) 2007-08-09 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 MPO 1314/4885KDM4E 1442/4885MAPT 3224/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 MPO 880/4885KDM4E 1209/4885MAPT 3196/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 MPO 1314/4885KDM4E 1442/4885MAPT 3224/4885
US-20070185079-A1 Therapeutic agents I HTT, GRIN2A, GRIN1 MPO 184/4885KDM4E 2659/4885MAPT 35/4885

“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.