SCHEMBL2748192

SCHEMBL2748192

CC(C)(C)c1ccc(S(=O)(=O)Nc2c(C(=O)O)sc3ccc(F)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.46
UQCRB P14927 3/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B2 P37059 6/20 0.41
HDAC3 O15379 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
RORA P35398 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MOGAT2 Q3SYC2 1/20 0.40
GFER P55789 1/20 0.40
HDAC1 Q13547 1/20 0.40
PSD A5PKW4 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
SCHEMBL4547561 0.90 UQCRB (0.43) PTPN5UQCRBMEN1KMT2AALDH1A1
SCHEMBL2749970 0.89 MEN1 (0.48) PTPN5UQCRBMEN1KMT2AALDH1A1
SCHEMBL2748545 0.84 HSD17B2 (0.53) PTPN5UQCRBMEN1KMT2AALDH1A1
SCHEMBL27703446 0.77 PTPN5 (0.56) PTPN5UQCRBMEN1KMT2AALDH1A1
SCHEMBL3984770 0.74 SERPINE1 (0.58) PTPN5UQCRBMEN1KMT2AALDH1A1
SCHEMBL1094560 0.74 PTPN5 (0.57) PTPN5UQCRBHSD17B2KDM4E
SCHEMBL2748031 0.73 UQCRB (0.53) PTPN5UQCRBALDH1A1HSD17B2KDM4E
SCHEMBL2748358 0.73 KDM4E (0.52) UQCRBMEN1KMT2AALDH1A1MAPT
SCHEMBL2747439 0.69 ACLY (0.60) PTPN5UQCRBMEN1KMT2AALDH1A1
SCHEMBL2250816 0.68 NPSR1 (0.67) UQCRBHSD17B2KDM4E

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 10 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 claimed
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 PTPN5 951/4885UQCRB 4425/4885MEN1 4376/4885

“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.