SCHEMBL6076875

SCHEMBL6076875

COc1ccc(Cl)cc1CSC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ADRB2 P07550 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL11746783 0.84 KDM4E (0.46) ALDH1A1MEN1KMT2AADRB2KDM4E
SCHEMBL22200743 0.80 KDM4E (0.56) ALDH1A1MEN1KMT2AADRB2KDM4E
SCHEMBL11745832 0.79 NPSR1 (0.55) ALDH1A1MEN1KMT2AADRB2KDM4E
SCHEMBL10864958 0.79 CYP3A4 (0.61) ALDH1A1MEN1KMT2AADRB2KDM4E
SCHEMBL17472737 0.79 IDO1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL11716392 0.78 MCOLN3 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL11776518 0.78 HPGD (0.48) ALDH1A1MEN1KMT2AADRB2KDM4E
SCHEMBL11216330 0.76 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AADRB2KDM4E
SCHEMBL13034132 0.76 ADRB2 (0.57) ALDH1A1MEN1KMT2AADRB2SMN1; SMN2
SCHEMBL365584 0.76 LMNA (0.51) ALDH1A1MEN1KMT2AADRB2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
WO-2004039376-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 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-20040092529-A1 Methods of using piperazine derivatives CCR1, CCR3, CCR5 ALDH1A1 238/4885MEN1 4618/4885KMT2A 4125/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 ALDH1A1 373/4885MEN1 4737/4885KMT2A 3932/4885

“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.