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SCHEMBL311651

SCHEMBL311651

O=C(O)CC(NC(=O)Cn1cnc2sccc2c1=O)C(=O)CF

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GPR139 Q6DWJ6 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ RECQL P46063 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL10044270 0.83 KDM4E (0.55) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL311929 0.72 NLRP3 (0.54) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL312093 0.71 NTSR1 (0.45) MEN1KMT2AKDM4ERAB9A
SCHEMBL10044273 0.71 NTSR1 (0.45) MEN1KMT2AKDM4ERAB9A
SCHEMBL2995791 0.71 GAA (0.46) KMT2APOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL312333 0.71 PSMB5 (0.50) KDM4ECASP3
SCHEMBL311997 0.70 HDAC6 (0.47) CASP3
SCHEMBL8344847 0.70 CASP3 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16983043 0.69 GAA (0.44) KMT2APOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL311998 0.69 CASP1 (0.48) CASP3

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 25 patents — showing the first 20. 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-8288537-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 — — US disclosed
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-20120077830-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-29 — — 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-8093392-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-10 — — 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
US-7906650-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 — — US disclosed
US-7906650-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 — — US 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-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — 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
US-7517987-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICAL INCORPORATED (US) 2009-04-14 — — US disclosed
US-7517987-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICAL INCORPORATED (US) 2009-04-14 — — US disclosed
US-20030232846-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 — — 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 (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 MEN1 2725/4885KMT2A 3925/4885POLB 3932/4885
US-20120077830-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 MEN1 2725/4885KMT2A 3925/4885POLB 3932/4885
US-20110130436-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 MEN1 2725/4885KMT2A 3925/4885POLB 3932/4885
US-20030232846-A1 Caspase inhibitors and uses thereof CASP1, CASP3, CASP2 MEN1 2829/4885KMT2A 4026/4885POLB 4042/4885

“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.