SCHEMBL7043590

SCHEMBL7043590

CC(C)(C)OC(=O)NCC(=O)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.62
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 4/20 0.61
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.57
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
MEN1 O00255 2/20 0.53
NOX1 Q9Y5S8 1/20 0.52

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
SCHEMBL7040829 0.88 LTA4H (0.66) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2987817 0.87 RAB9A (0.74) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4339818 0.87 SIRT2 (0.53) LTA4HKMT2A
SCHEMBL7722182 0.85 CYP17A1 (0.53) RAB9ANPC1KMT2A
SCHEMBL15201328 0.85 RAB9A (0.60) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6635582 0.85 NPFFR1 (0.52) RAB9AALDH1A1KMT2AMEN1
SCHEMBL4068749 0.83 LTA4H (0.72) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8693590 0.83 CA1 (0.54) RAB9AALDH1A1KMT2AMEN1
SCHEMBL2009888 0.83 HDAC1 (0.55) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL31509543 0.83 RAB9A (0.49) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104220058-A Serine racemase inhibitor NAT UNIV CORP UNIV TOYAMA 2014-12-17 CN disclosed
EP-2808014-A1 SERINE RACEMASE INHIBITOR National University Corporation University Of Toyama (JP) 2014-12-03 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20030060632-A1 Calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US disclosed
US-6495715-B2 STROKE, ANTIISCHEMIC AGENTS, TRAUMAS, ANTIEPILEPIC AGENTS WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 US disclosed
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 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 (3 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B LTA4H 951/4885RAB9A 2258/4885SMN1; SMN2 3084/4885
US-20010023249-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G LTA4H 759/4885RAB9A 2314/4885SMN1; SMN2 1321/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G LTA4H 759/4885RAB9A 2314/4885SMN1; SMN2 1321/4885

“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.