SCHEMBL4165100

SCHEMBL4165100

Cc1ccc(S(=O)(=O)C2CC(NC(=O)O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 1/20 0.49
TSHR P16473 3/20 0.46
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL989406 0.80 ALDH1A1 (0.51) ELOVL6TSHRALDH1A1MEN1KMT2A
SCHEMBL988913 0.79 MMP2 (0.46) ELOVL6TSHRALDH1A1MEN1KMT2A
SCHEMBL5761130 0.73 GAA (0.52) TSHRALDH1A1MEN1KMT2ACA1
SCHEMBL30393372 0.72 ALDH1A1 (0.61) ELOVL6TSHRALDH1A1MEN1KMT2A
SCHEMBL30267353 0.72 ALDH1A1 (0.47) ELOVL6ALDH1A1MEN1KMT2APOLB
SCHEMBL1498484 0.72 ELOVL6 (0.53) ELOVL6MEN1KMT2ACA1CA2
SCHEMBL1498485 0.72 ELOVL6 (0.53) ELOVL6MEN1KMT2ACA1CA2
SCHEMBL21813640 0.71 ATM (0.31)
SCHEMBL21813642 0.71 ATM (0.31)
SCHEMBL21813863 0.71 ATM (0.31)

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-20090306067-A1 2, 4-DIAMINOPYRIMIDIDE DERIVATES AND THEIR USE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
EP-2007754-A1 2, 4-DIAMINOPYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007115999-A1 2, 4-DIAMINOPYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 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 (4 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ELOVL6 4061/4885TSHR 1656/4885ALDH1A1 971/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ELOVL6 4061/4885TSHR 1656/4885ALDH1A1 971/4885
US-20090306067-A1 2, 4-DIAMINOPYRIMIDIDE DERIVATES AND THEIR USE FOR THE TREATMENT OF CANCER MKI67, CCND1, CCNT1 ELOVL6 4528/4885TSHR 1206/4885ALDH1A1 106/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ELOVL6 4061/4885TSHR 1656/4885ALDH1A1 971/4885

“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.