SCHEMBL2016182

SCHEMBL2016182

[CH2]CCCN1CCS(=O)(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CNR2 P34972 1/20 0.32
PAOX Q6QHF9 1/20 0.31
SLC6A4 P31645 1/20 0.30
ADRA2B P18089 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5564599 0.93 HRH3 (0.36) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL356238 0.86 KMT2A (0.38) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL1097457 0.79 KMT2A (0.37) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL806010 0.77 GNAI3 (0.41) KMT2AMEN1HPGDNPC1ALDH1A1
SCHEMBL1097459 0.77 KMT2A (0.36) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL4057851 0.77 KMT2A (0.40) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL1098265 0.77 KEAP1 (0.50) KMT2AMEN1
SCHEMBL17556136 0.77 KMT2A (0.36) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL1098264 0.77 KMT2A (0.36) KMT2AMEN1HPGDCYP1A2CYP2C19
SCHEMBL27784922 0.77 HRH3 (0.32) HRH3PAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 US disclosed
US-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 US disclosed
WO-2010072823-A1 PYRAZOLE[1,5a]PYRIDINE DERIVATIVES PALAU PHARMA, S. A. (ES) 2010-07-01 WO disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 US disclosed
WO-2010034740-A1 (R)-3-(N,N-DIMETHYLAMINO)PYRROLIDINE DERIVATIVES PALAU PHARMA, S.A. (ES) 2010-04-01 WO disclosed
CN-101679440-A Pyrrolopyrimidine derivatives as jak3 inhibitors PALAU PHARMA SA 2010-03-24 CN disclosed
EP-2142550-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS Palau Pharma, S.A. (ES) 2010-01-13 EP disclosed
EP-2118105-A1 PURINE DERIVATIVES Palau Pharma, S.A. (ES) 2009-11-18 EP disclosed
WO-2008119792-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S. A. (ES) 2008-10-09 WO disclosed
WO-2008090181-A1 PURINE DERIVATIVES PALAU PHARMA, S. A. (ES) 2008-07-31 WO disclosed
US-5585518-A USEFUL INTERMEDIATES FOR THE SYNTHESIS OF METAL COMPLEX DYES, ESPECIALLY OF REACTIVE DYES BASED ON FORMAZANS BASF AKTIENGESELLSCHAFT (DE) 1996-12-17 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 (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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 KMT2A 2029/4885MEN1 3780/4885HPGD 2187/4885
US-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 KMT2A 2127/4885MEN1 3520/4885HPGD 1230/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 KMT2A 2029/4885MEN1 3780/4885HPGD 2187/4885

“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.