SCHEMBL255674

SCHEMBL255674

CC(C)(Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
AAK1 Q2M2I8 6/20 0.43
FPR3 P25089 2/20 0.42
FPR2 P25090 2/20 0.42
LMNA P02545 1/20 0.42
CACNA1B Q00975 1/20 0.41
PTPRB P23467 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.39
ACACB O00763 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL6676311 0.86 ALDH1A1 (0.42) PTPRBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL29481067 0.85 CTSS (0.52) NPC1RECQLRAB9ASMN1; SMN2CTSS
SCHEMBL255661 0.84 PTPRB (0.41) AAK1PTPRBALDH1A1CYP3A4CYP2C9
SCHEMBL14266632 0.84 ALDH1A1 (0.58) RECQLCTSSCTSKLMNAALDH1A1
SCHEMBL2436818 0.84 CTSS (0.50) NPC1RECQLRAB9ASMN1; SMN2CTSS
SCHEMBL20338607 0.84 CTSS (0.50) NPC1RECQLRAB9ASMN1; SMN2CTSS
SCHEMBL3627157 0.82 CTSB (0.51) CTSSCTSKAAK1ALDH1A1CYP3A4
SCHEMBL27540464 0.81 CYP17A1 (0.53) RAB9AAAK1PTPRBALDH1A1CYP3A4
SCHEMBL2705972 0.80 NPC1 (0.45) NPC1RECQLRAB9ASMN1; SMN2CTSS
SCHEMBL16041240 0.80 ALDH1A1 (0.49) NPC1RAB9AFPR2LMNAALDH1A1

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-20240083839-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-03-14 US disclosed
EP-4225730-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS The Regents of the University of California (US) 2023-08-16 EP disclosed
WO-2022076507-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-14 WO disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 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 (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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G NPC1 139/4885RECQL 1068/4885RAB9A 2480/4885
US-20240083839-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS PRMT8, SIRT1, PRMT3 NPC1 704/4885RECQL 1685/4885RAB9A 924/4885

“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.