SCHEMBL2748545

SCHEMBL2748545

CC(C)(C)c1ccc(S(=O)(=O)Nc2c(C(=O)O)sc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.53
PSD A5PKW4 1/20 0.51
UQCRB P14927 3/20 0.49
ACLY P53396 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTPN5 P54829 1/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
BRD4 O60885 1/20 0.45
NLRP3 Q96P20 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
BCL2A1 Q16548 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
SCHEMBL2748358 0.88 KDM4E (0.52) HSD17B2PSDUQCRBACLYMEN1
SCHEMBL2748192 0.84 PTPN5 (0.46) HSD17B2PSDUQCRBMEN1KMT2A
SCHEMBL2748031 0.81 UQCRB (0.53) HSD17B2PSDUQCRBPTPN5ALDH1A1
SCHEMBL3984770 0.78 SERPINE1 (0.58) HSD17B2PSDUQCRBMEN1KMT2A
SCHEMBL27703446 0.76 PTPN5 (0.56) UQCRBMEN1KMT2APTPN5ALDH1A1
SCHEMBL2250816 0.74 NPSR1 (0.67) HSD17B2UQCRBACLYKDM4E
SCHEMBL4547561 0.74 UQCRB (0.43) HSD17B2PSDUQCRBMEN1KMT2A
SCHEMBL2749970 0.73 MEN1 (0.48) HSD17B2UQCRBMEN1KMT2APTPN5
SCHEMBL5809803 0.72 ACLY (0.45) HSD17B2ACLYMCL1
SCHEMBL2747439 0.72 ACLY (0.60) HSD17B2PSDUQCRBACLYMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178699-B2 Modulators of CCR9 receptor and methods of use thereof PFIZER INC. (US) 2012-05-15 US disclosed
US-8178699-B2 Modulators of CCR9 receptor and methods of use thereof PFIZER INC. (US) 2012-05-15 US disclosed
US-8178699-B2 Modulators of CCR9 receptor and methods of use thereof PFIZER INC. (US) 2012-05-15 US disclosed
EP-2220065-A2 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-08-25 EP disclosed
US-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. 2010-02-04 US disclosed
WO-2009017719-A2 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017719-A2 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-02-05 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 (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-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 HSD17B2 2833/4885PSD 3638/4885UQCRB 4425/4885

“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.