SCHEMBL4491902

SCHEMBL4491902

[CH2]c1ccc(SC2CCOC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 4/20 0.43
POLB P06746 3/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRNP P04156 1/20 0.38
MC4R P32245 1/20 0.38

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
SCHEMBL4501819 1.00 KMT2A (0.44) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL875841 0.83 MAPK1 (0.58) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL873535 0.83 DDB1 (0.51) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL877603 0.83 POLB (0.53) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL15746491 0.83 DDB1 (0.51) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL7981025 0.82 MAPK1 (0.56) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL5569137 0.82 KMT2A (0.42) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL31708217 0.80 HSD17B10 (0.44) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL14517050 0.79 ALDH1A1 (0.56) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL872472 0.79 DDB1 (0.55) KMT2AALDH1A1MAPK1POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553842-B2 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. (US) 2009-06-30 US disclosed
EP-1838316-A2 MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES Array Biopharma, Inc. (US) 2007-10-03 EP disclosed
WO-2006078724-A2 MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES ARRAY BIOPHARMA NC. (US) 2006-07-27 WO disclosed
US-20060160838-A1 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. 2006-07-20 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 (1 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-20060160838-A1 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases TSLP, XDH, IFNG KMT2A 4202/4885ALDH1A1 1573/4885MAPK1 4151/4885

“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.