SCHEMBL4813653

SCHEMBL4813653

CC(=O)c1c(C)c(C(=O)O)n(C)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.61
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 3/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL257222 0.76 USP2 (0.53) USP2KMT2AALDH1A1LMNAHPGD
SCHEMBL7477443 0.76 KDM4E (0.61) USP2KMT2AKDM4EALDH1A1LMNA
SCHEMBL16416948 0.73 USP2 (0.71) USP2KMT2AKDM4EALDH1A1TSHR
SCHEMBL20519235 0.72 USP2 (0.49) USP2KMT2AGPR35L3MBTL1HTT
SCHEMBL22870151 0.72 KDM4E (0.47) USP2KMT2AKDM4EALDH1A1LMNA
SCHEMBL15197088 0.71 KMT2A (0.44) USP2KMT2AALDH1A1LMNATSHR
SCHEMBL23264663 0.69 USP2 (0.46) USP2KMT2AGPR35GRIA2GRIA4
SCHEMBL28895524 0.69 USP2 (0.54) USP2KMT2AGPR35TSHRHPGD
SCHEMBL70763 0.69 KDM4E (0.46) USP2KMT2AKDM4EALDH1A1LMNA
SCHEMBL19332132 0.69 USP2 (0.49) USP2KMT2AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423116-B2 Pentapeptide compounds and uses related thereto SEATTLE GENETICS INC. (US) 2008-09-09 US disclosed
US-7256257-B2 Pentapeptide compounds and uses related thereto SEATTLE GENETICS, INC. (US) 2007-08-14 US disclosed
US-20060229253-A1 Pentapeptide compounds and uses related thereto SEATTLE GENETICS, INC. 2006-10-12 US disclosed
US-7098308-B2 Pentapetide containing a proline amino acid; cytotoxic agent SEATTLE GENETICS, INC. (US) 2006-08-29 US disclosed
EP-1390393-A4 PENTAPEPTIDE COMPOUNDS AND USES RELATED THERETO SEATTLE GENETICS INC (US) 2006-05-24 EP disclosed
US-20050113308-A1 Pentapeptide compounds and uses related thereto SEATTLE GENETICS, INC. 2005-05-26 US disclosed
US-6884869-B2 Pentapeptide compounds and uses related thereto SEATTLE GENETICS, INC. (US) 2005-04-26 US disclosed
US-20050009751-A1 PENTAPEPTIDE COMPOUNDS AND USES RELATED THERETO SEATTLE GENETICS, INC. 2005-01-13 US disclosed
US-20040157782-A1 Pentapeptide compounds and uses related thereto SEAGEN INC. 2004-08-12 US disclosed
EP-1390393-A2 PENTAPEPTIDE COMPOUNDS AND USES RELATED THERETO Seattle Genetics, Inc. (US) 2004-02-25 EP disclosed
US-20030083263-A1 Pentapeptide compounds and uses related thereto SEATTLE GENETICS INCORPORATED 2003-05-01 US disclosed
WO-2002088172-A2 PENTAPEPTIDE COMPOUNDS AND USES RELATED THERETO SEATTLE GENETICS, INC. (US) 2002-11-07 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 (5 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-20050113308-A1 Pentapeptide compounds and uses related thereto VIP, NGLY1, DNPEP USP2 3420/4885KMT2A 4319/4885KDM4E 3840/4885
US-20030083263-A1 Pentapeptide compounds and uses related thereto NGLY1, VIP, DNPEP USP2 2833/4885KMT2A 4624/4885KDM4E 4594/4885
US-20050009751-A1 PENTAPEPTIDE COMPOUNDS AND USES RELATED THERETO VIP, NGLY1, DNPEP USP2 3420/4885KMT2A 4319/4885KDM4E 3840/4885
US-20060229253-A1 Pentapeptide compounds and uses related thereto VIP, NGLY1, DNPEP USP2 3080/4885KMT2A 4617/4885KDM4E 4483/4885
US-20040157782-A1 Pentapeptide compounds and uses related thereto VIP, NGLY1, DNPEP USP2 3420/4885KMT2A 4319/4885KDM4E 3840/4885

“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.