SCHEMBL312165

SCHEMBL312165

C[C@@H](C(=O)O)n1cnc2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 1.00
TSHR P16473 1/20 0.77
KMT2A Q03164 2/20 0.55
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTGS2 P35354 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
APAF1 O14727 1/20 0.43

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
SCHEMBL27589134 1.00 USP5 (1.00) USP5TSHRKMT2AGAAHTT
SCHEMBL11985527 0.88 USP5 (0.78) USP5TSHRKMT2AGAAHTT
SCHEMBL6098718 0.87 TSHR (1.00) USP5TSHRKMT2AGAAHTT
SCHEMBL38661206 0.84 USP5 (0.71) USP5TSHRKMT2AGAAHTT
SCHEMBL2614340 0.82 USP5 (0.69) USP5TSHRKMT2AGAAHTT
SCHEMBL31303320 0.82 USP5 (0.69) USP5TSHRKMT2AGAAHTT
SCHEMBL21459432 0.82 USP5 (0.69) USP5TSHRKMT2AGAAHTT
SCHEMBL21459433 0.82 USP5 (0.69) USP5TSHRKMT2AGAAHTT
SCHEMBL80194 0.81 USP5 (0.68) USP5TSHRKMT2AMAPTLMNA
SCHEMBL311956 0.81 USP5 (0.68) USP5TSHRKMT2AMAPTLMNA

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-8288537-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-20120077830-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-29 US disclosed
US-8093392-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-10 US disclosed
US-20110130436-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-02 US disclosed
EP-2308845-A2 Caspase inhibitors and uses thereof Vertex Pharmceuticals Incorporated (US) 2011-04-13 EP disclosed
EP-2308844-A2 Caspase inhibitors and uses thereof Vertex Pharmceuticals Incorporated (US) 2011-04-13 EP disclosed
EP-2308846-A2 Caspase inhibitors and uses thereof Vertex Pharmceuticals Incorporated (US) 2011-04-13 EP disclosed
US-7906650-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 US disclosed
US-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
US-7517987-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICAL INCORPORATED (US) 2009-04-14 US disclosed
CN-101348455-A Aspartic acid specificity cysteine proteinase inhibitors and uses thereof VERTEX PHARMA (US) 2009-01-21 CN disclosed
CN-100415718-C Caspase inhibitors and uses thereof VERTEX PHARMA (US) 2008-09-03 CN disclosed
US-20030232846-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 US disclosed
CN-1420872-A Caspase inhibitors and uses thereof VERTEX PHARMA (US) 2003-05-28 CN disclosed
EP-1244626-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2002-10-02 EP disclosed
WO-2001042216-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-06-14 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 (4 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-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 USP5 403/4885TSHR 4750/4885KMT2A 3925/4885
US-20120077830-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 USP5 403/4885TSHR 4750/4885KMT2A 3925/4885
US-20110130436-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 USP5 403/4885TSHR 4750/4885KMT2A 3925/4885
US-20030232846-A1 Caspase inhibitors and uses thereof CASP1, CASP3, CASP2 USP5 359/4885TSHR 4820/4885KMT2A 4026/4885

“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.