SCHEMBL5857579

SCHEMBL5857579

C=CC(Cc1cc(F)cc(F)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.48
CTSL P07711 4/20 0.45
CTSB P07858 4/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
CTSS P25774 3/20 0.44
TACR1 P25103 2/20 0.44
MGLL Q99685 1/20 0.43
CTSK P43235 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL5929819 1.00 CTRB1 (0.48) CTRB1CTSLCTSBCYP3A4ALDH1A1
SCHEMBL5929919 0.89 CTSB (0.54) CTRB1CTSLCTSBCYP3A4ALDH1A1
SCHEMBL5859417 0.89 CTSB (0.54) CTRB1CTSLCTSBCYP3A4ALDH1A1
SCHEMBL6220038 0.88 CTRB1 (0.59) CTRB1CTSLCTSBALDH1A1CTSS
SCHEMBL10508932 0.88 CTRB1 (0.59) CTRB1CTSLCTSBALDH1A1CTSS
SCHEMBL6712580 0.88 CTRB1 (0.59) CTRB1CTSLCTSBALDH1A1CTSS
SCHEMBL7797822 0.81 CTSL (0.53) CTRB1CTSLCTSBALDH1A1CTSS
SCHEMBL3303033 0.81 ITGB3 (0.56) CTRB1CTSLCTSBALDH1A1CTSS
SCHEMBL5929971 0.80 CTRB1 (0.60) CTRB1CTSLCTSBCYP3A4ALDH1A1
SCHEMBL6558933 0.80 CTRB1 (0.60) CTRB1CTSLCTSBCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030239-B2 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2006-04-18 US claimed
US-20040214846-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2004-10-28 US claimed
EP-1265849-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2002-12-18 EP claimed
US-20020022623-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-21 US claimed
WO-2001070672-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2001-09-27 WO claimed
EP-1392645-A2 AZA HYDROXYLATED ETHYL AMINE COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
WO-2002094768-A2 AZA HYDROXYLATED ETHYL AMINE COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2002-11-28 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 (2 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-20040214846-A1 Compounds to treat Alzheimer's disease PSEN1, PSEN2, BACE1 CTRB1 3033/4885CTSL 3886/4885CTSB 1524/4885
US-20020022623-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, BACE1 CTRB1 3033/4885CTSL 3886/4885CTSB 1524/4885

“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.