SCHEMBL81563

SCHEMBL81563

[NH]c1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
TP53 P04637 1/20 0.63
TDP1 Q9NUW8 3/20 0.53
POLB P06746 3/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.52
CTSB P07858 1/20 0.49
TSHR P16473 4/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRIK1 P39086 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
GRIK2 Q13002 1/20 0.45
GRIK3 Q13003 1/20 0.45

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
SCHEMBL2911184 0.83 TSHR (0.63) ALDH1A1TP53TDP1POLBKDM4E
SCHEMBL1805996 0.81 ALDH1A1 (0.50) ALDH1A1TP53TDP1POLBKDM4E
SCHEMBL1806915 0.79 ALDH1A1 (0.48) ALDH1A1TDP1POLBKDM4EMAPT
SCHEMBL10507474 0.78 ALDH1A1 (0.63) ALDH1A1TP53TDP1POLBKDM4E
SCHEMBL2771204 0.77 ALDH1A1 (0.68) ALDH1A1TP53TDP1POLBKDM4E
SCHEMBL224469 0.77 ALDH1A1 (1.00) ALDH1A1TP53TDP1POLBKDM4E
Hydrochloric Acid SCHEMBL699002 0.76 ALDH1A1 (0.95) ALDH1A1TP53TDP1POLBKDM4E
SCHEMBL6584266 0.76 ALDH1A1 (0.95) ALDH1A1TP53TDP1POLBKDM4E
SCHEMBL201278 0.76 ALDH1A1 (0.65) ALDH1A1TP53TDP1POLBKDM4E
SCHEMBL343127 0.76 CA1 (0.61) ALDH1A1TDP1KDM4ECTSBCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4790179-B2 2011-10-12 JP claimed
EP-2305246-A1 Tumor necrosis factor inhibitors Ception Therapeutics, Inc. (US) 2011-04-06 EP claimed
EP-2298295-A1 Tumor necrosis factor inhibitors Ception Therapeutics, Inc. (US) 2011-03-23 EP claimed
US-20090221527-A1 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2009-09-03 US claimed
US-7566741-B2 Methods of inhibiting osteoclast activity THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-07-28 US claimed
EP-1845970-A4 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS INC (US) 2009-02-18 EP claimed
EP-1845970-A2 TUMOR NECROSIS FACTOR INHIBITORS Ception Therapeutics, Inc. (US) 2007-10-24 EP claimed
WO-2006083970-A2 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2006-08-10 WO claimed
WO-2006083869-A2 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2006-08-10 WO claimed
EP-1207873-A4 METHODS OF INHIBITING OSTEOCLAST ACTIVITY UNIV PENNSYLVANIA (US) 2006-04-12 EP claimed
US-20050080133-A1 Methods of inhibiting osteoclast activity GREENE MARK I (US) 2005-04-14 US claimed
JP-2003505503-A 2003-02-12 JP claimed
EP-1207873-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-05-29 EP claimed
WO-2001008677-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-02-08 WO claimed
EP-2305246-B1 Tumor necrosis factor inhibitors UNIV PENNSYLVANIA (US) 2015-08-26 EP disclosed
US-9096607-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-08-04 US disclosed
US-20140256803-A1 TUMOR NECROSIS FACTOR INHIBITORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-09-11 US disclosed
EP-1091974-A2 CAVITY INDUCED ALLOSTERIC MODIFICATION OF INTERMOLECULAR INTERACTIONS AND METHODS OF IDENTIFYING COMPOUNDS THAT EFFECT THE SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-04-18 EP disclosed
WO-2001008677-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-02-08 WO disclosed
WO-2000001349-A2 CAVITY INDUCED ALLOSTERIC MODIFICATION OF INTERMOLECULAR INTERACTIONS AND METHODS OF IDENTIFYING COMPOUNDS THAT EFFECT THE SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-01-13 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-20090221527-A1 TUMOR NECROSIS FACTOR INHIBITORS TNFRSF1A, TNF, TNFRSF9 ALDH1A1 3912/4885TP53 52/4885TDP1 3407/4885
US-20140256803-A1 TUMOR NECROSIS FACTOR INHIBITORS TNFRSF1A, TNF, TNFRSF9 ALDH1A1 3912/4885TP53 52/4885TDP1 3407/4885
US-20050080133-A1 Methods of inhibiting osteoclast activity NFATC1, CD40LG, CD14 ALDH1A1 4486/4885TP53 3613/4885TDP1 3064/4885

“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.