SCHEMBL5495378

SCHEMBL5495378

CC(C)(C)c1ccc(N)cc1NC(=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.44
GPR35 Q9HC97 7/20 0.40
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTPN2 P17706 3/20 0.37
PTPRC P08575 2/20 0.37
PTPRB P23467 2/20 0.37
PTPRE P23469 2/20 0.37
PTPN6 P29350 2/20 0.37
PTPRA P18433 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK14 Q16539 1/20 0.36
PTPRF P10586 1/20 0.36
LPAR1 Q92633 1/20 0.35

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
SCHEMBL5491187 0.84 GPR35 (0.42) GPR35CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL519374 0.83 ALDH1A1 (0.46) MAPTCYP2C19ALDH1A1NR1H4RAF1
SCHEMBL14582960 0.78 ALDH1A1 (0.49) GPR35MAPTALDH1A1NR1H4
SCHEMBL11781579 0.78 MAPT (0.47) PTPN1GPR35CYP1A2MAPTCYP2C9
SCHEMBL30977630 0.76 ALDH1A1 (0.55) PTPN1GPR35ALDH1A1PTPN2PTPRC
SCHEMBL4422637 0.76 ALDH1A1 (0.55) PTPN1GPR35ALDH1A1PTPN2PTPRC
SCHEMBL3141594 0.76 MAPT (0.40) MAPTALDH1A1
SCHEMBL9459840 0.74 ALDH1A1 (0.48) PTPN1GPR35MAPTALDH1A1PTPN2
SCHEMBL14568584 0.74 HPGD (0.49) MAPTALDH1A1
SCHEMBL395006 0.73 TSHR (0.33) CYP1A2MAPTALDH1A1NR1H4RAF1

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-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-7053056-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2005-01-27 US disclosed
CN-1525978-A C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases 伊邓药品公司 2004-09-01 CN disclosed
EP-1351975-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2003-10-15 EP disclosed
WO-2002057298-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2002-07-25 WO disclosed
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-04-11 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-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP PTPN1 2753/4885GPR35 4562/4885CYP1A2 4818/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 PTPN1 2847/4885GPR35 4555/4885CYP1A2 4818/4885

“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.