SCHEMBL6736890

SCHEMBL6736890

Cc1ccc(CNC(=O)CCCS(N)(=O)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
RECQL P46063 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 1/20 0.56
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
TPSAB1 Q15661 1/20 0.54
CA7 P43166 2/20 0.53
CA12 O43570 1/20 0.53
STS P08842 1/20 0.52
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL14679461 0.81 TPSAB1 (0.65) KMT2AALDH1A1MEN1USP2CA1
SCHEMBL11869640 0.80 KMT2A (0.64) KMT2AALDH1A1MEN1USP2TPSAB1
SCHEMBL6467130 0.80 HPGD (0.73) KMT2AALDH1A1MEN1KDM4ETPSAB1
SCHEMBL14679156 0.78 TPSAB1 (0.62) KMT2AALDH1A1MEN1USP2APEX1
SCHEMBL14344692 0.76 TPSAB1 (0.61) KMT2AALDH1A1MEN1USP2TDP1
SCHEMBL17335992 0.76 CYP3A4 (0.63) KMT2AALDH1A1MEN1USP2KDM4E
SCHEMBL14679454 0.76 KMT2A (0.59) KMT2AALDH1A1MEN1USP2KDM4E
SCHEMBL11295318 0.76 HTT (0.63) KMT2AALDH1A1MEN1TDP1HTT
SCHEMBL5326701 0.74 HTT (0.70) KMT2AALDH1A1MEN1USP2TDP1
SCHEMBL18235894 0.74 CA1 (0.62) KMT2AALDH1A1MEN1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 US disclosed
US-20110172126-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2011-07-14 US disclosed
US-20110172126-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2011-07-14 US disclosed
US-7767810-B2 Macrocyclic modules comprising linked cyclic synthon units for use in the formation of selectively permeable membranes COVALENT PARTNERS, LLC (US) 2010-08-03 US disclosed
US-7767810-B2 Macrocyclic modules comprising linked cyclic synthon units for use in the formation of selectively permeable membranes COVALENT PARTNERS, LLC (US) 2010-08-03 US disclosed
WO-2010025510-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2010-03-11 WO disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7449544-B2 p21 peptides CYCLACEL LIMITED (GB) 2008-11-11 US disclosed
US-7449544-B2 p21 peptides CYCLACEL LIMITED (GB) 2008-11-11 US disclosed
US-7432371-B2 Nanofilm and membrane compositions COVALENT PARTNERS, LLC (US) 2008-10-07 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 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 (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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 KMT2A 3432/4885ALDH1A1 4017/4885MEN1 1259/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 KMT2A 3294/4885ALDH1A1 3961/4885MEN1 1223/4885

“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.