SCHEMBL3240455

SCHEMBL3240455

CC(C)(C)c1ccc(C(=O)O)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.50
KDM4E B2RXH2 8/20 0.49
GAA P10253 8/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
THRB P10828 3/20 0.49
HPGD P15428 3/20 0.49
GFER P55789 2/20 0.49
HTT P42858 1/20 0.49
PLEC Q15149 1/20 0.49
RARB P10826 3/20 0.47
RARG P13631 3/20 0.47
ACE2 Q9BYF1 1/20 0.46
HSD17B10 Q99714 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
RCE1 Q9Y256 1/20 0.45
RXRA P19793 1/20 0.44

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
SCHEMBL8128473 0.85 ALDH1A1 (0.45) KDM4EGAAMAPTALDH1A1HTT
SCHEMBL20690543 0.85 CDC25B (0.55) CDC25BKDM4EGAAMAPTALDH1A1
SCHEMBL13653068 0.82 RARB (0.51) KDM4EGAAMAPTRARBRARG
SCHEMBL29835211 0.81 CDC25B (0.46) CDC25BKDM4EGAAMAPTALDH1A1
SCHEMBL403027 0.81 CDC25B (0.46) CDC25BKDM4EGAAMAPTALDH1A1
SCHEMBL8128323 0.80 PLAU (0.50) THRBHPGDHTTSMN1; SMN2
SCHEMBL8131393 0.80 HSP90AA1 (0.46) GAAMAPTALDH1A1HPGDHTT
SCHEMBL7608923 0.80 KDM4E (0.62) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL11232499 0.79 NPC1 (0.50) GAAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2582866 0.78 POLB (0.59) KDM4EGAAMAPTALDH1A1HPGD

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
US-9115341-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-25 US disclosed
US-20100310537-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2010-12-09 US disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 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 (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-20100310537-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, CD44, NES CDC25B 978/4885KDM4E 2378/4885GAA 624/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CDC25B 1618/4885KDM4E 377/4885GAA 3055/4885

“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.