SCHEMBL561801

SCHEMBL561801

Cc1cc(C(F)(F)F)cc(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CA1 P00915 1/20 0.46
LPO P22079 1/20 0.43
PTGS1 P23219 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.39
XPO1 O14980 1/20 0.38
AR P10275 1/20 0.38
PDE2A O00408 2/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MAPK14 Q16539 1/20 0.36
NOTUM Q6P988 1/20 0.36
RAB9A P51151 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
SCHEMBL17874248 0.80 CA1 (0.41) MAPTCA1LPOPTGS1SMN1; SMN2
SCHEMBL21341473 0.80 CA1 (0.48) MAPTCA1LPOPTGS1SMN1; SMN2
SCHEMBL3556726 0.77 MAPT (0.47) MAPTPDE2ASCN8ASCN10ARAB9A
SCHEMBL25065886 0.76 KDM4E (0.46) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL19583320 0.74 GAA (0.46) MAPTLPOPTGS1SMN1; SMN2KDM4E
SCHEMBL9730639 0.74 XDH (0.38) MAPTKDM4EHPGDGAAHTT
SCHEMBL20339421 0.74 CES2 (0.35) MAPTKDM4EHPGDGAAHTT
SCHEMBL18711830 0.74 PDE2A (0.39) HTTARPDE2ARAB9A
SCHEMBL1700765 0.69
SCHEMBL30021526 0.69 CYP1A2 (0.57) MAPTKDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431230-A Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2025-02-14 CN disclosed
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 EP disclosed
CN-114222730-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-09-10 CN disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 CN disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-11578069-B2 Compounds for inhibition of α4 β7 integrin GILEAD SCIENCES, INC. (US) 2023-02-14 US disclosed
US-11578069-B2 Compounds for inhibition of α4 β7 integrin GILEAD SCIENCES, INC. (US) 2023-02-14 US disclosed
EP-4013499-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-06-22 EP disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
CN-114222730-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2022-03-22 CN disclosed
WO-2009030887-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 WO disclosed
US-6916933-B2 4-pyridinyl-n-acyl-l-phenylalanines HOFFMAN-LA ROCHE INC. (US) 2005-07-12 US disclosed
EP-1244625-B1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
CN-1196682-C 4-pyridyl-N-acyl-L-phenylalanine HOFFMANN LA ROCHE (CH) 2005-04-13 CN disclosed
US-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines KAPLAN GERALD LEWIS (US) 2004-07-01 US disclosed
CN-1402709-A 4-pyridinyl-N-acyl-L-phenylalanines HOFFMANN LA ROCHE (CH) 2003-03-12 CN disclosed
EP-1244625-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-10-02 EP disclosed
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines KAPLAN GERALD LEWIS (US) 2002-09-19 US disclosed
US-6388084-B1 4-pyridinyl-n-acyl-l-phenylalanines HOFFMANN-LA ROCHE INC. 2002-05-14 US disclosed
WO-2001042215-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 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 (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-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines VCAM1, ICAM1, SELPLG MAPT 3047/4885CA1 4298/4885LPO 892/4885
US-11578069-B2 Compounds for inhibition of α4 β7 integrin ITGB7, ITGB4, ITGA4 MAPT 3196/4885CA1 3468/4885LPO 3260/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 MAPT 3224/4885CA1 2759/4885LPO 3317/4885
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines VCAM1, ICAM1, SELPLG MAPT 3047/4885CA1 4298/4885LPO 892/4885

“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.