SCHEMBL668826

SCHEMBL668826

C[C@H](N/C=C/c1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TDP1 Q9NUW8 2/20 0.46
GLA P06280 1/20 0.46
CYP1A2 P05177 3/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
CYP2C9 P11712 2/20 0.44
TNKS O95271 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL527788 1.00 HTT (0.57) HTTNPC1RAB9ATDP1GLA
SCHEMBL527789 1.00 HTT (0.57) HTTNPC1RAB9ATDP1GLA
SCHEMBL18301511 1.00 HTT (0.57) HTTNPC1RAB9ATDP1GLA
SCHEMBL527790 1.00 HTT (0.57) HTTNPC1RAB9ATDP1GLA
SCHEMBL10457952 0.80 RAB9A (0.48) HTTNPC1RAB9AGLASMN1; SMN2
SCHEMBL1806526 0.79 OPRM1 (0.44) HTTALDH1A1MAPTLMNA
SCHEMBL7514017 0.79 NPC1 (0.44) HTTNPC1RAB9ATDP1GLA
SCHEMBL7514022 0.79 NPC1 (0.44) HTTNPC1RAB9ATDP1GLA
SCHEMBL11034119 0.78 MAOB (0.44) HTTNPC1RAB9ATDP1SMN1; SMN2
SCHEMBL22994501 0.75 SMN1; SMN2 (0.70) HTTTDP1GLACYP1A2HDAC1

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022636-A1 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2016-01-28 US claimed
EP-2968240-A2 PHYSIOLOGICAL LIGANDS FOR GPR139 Janssen Pharmaceutica, N.V. (BE) 2016-01-20 EP claimed
US-20140336216-A1 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 US claimed
WO-2014152917-A2 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO claimed
WO-2011075678-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-06-23 WO claimed
EP-3303367-B1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2025-06-18 EP disclosed
WO-2024130161-A2 NOVEL CAMPTOTHECIN DERIVATIVES AND CONJUGATES THEREOF BIONECURE THERAPEUTICS INC (US) 2024-06-20 WO disclosed
US-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME NEW YORK UNIVERSITY 2024-04-18 US disclosed
US-20240034753-A1 THERAPEUTIC PEPTIDES COHBAR, INC. 2024-02-01 US disclosed
US-11753445-B2 Therapeutic peptides COHBAR, INC. (US) 2023-09-12 US disclosed
US-20230218710-A1 METHOD OF TREATING CORONAVIRUS INFECTIONS COHBAR, INC. 2023-07-13 US disclosed
US-20230137562-A1 TAU AGGREGATION INHIBITORS ADRX, INC. 2023-05-04 US disclosed
US-9109007-B2 MHC-I restricted epitopes containing non-natural amino acid residues PURDUE PHARMA L.P. (US) 2015-08-18 US disclosed
US-20140336216-A1 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 US disclosed
WO-2014152917-A2 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO disclosed
US-20140050749-A1 MHC-I Restricted Epitopes Containing Non-Natural Amino Acid Residues PURDUE PHARMA L.P. (US) 2014-02-20 US disclosed
WO-2012023033-A2 IMPROVED PEPTIDE IMMUNOGENS PURDUE PHARMA L.P. (US) 2012-02-23 WO disclosed
WO-2011075678-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-06-23 WO disclosed
EP-1185869-B1 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICALS AG (DE) 2006-07-26 EP disclosed
WO-2005105843-A2 HIV PROTEASE INHIBITORS ARPIDA A/S (DK) 2005-11-10 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-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME SOS2, SOS1, F2 HTT 3772/4885NPC1 3848/4885RAB9A 2916/4885
US-20140050749-A1 MHC-I Restricted Epitopes Containing Non-Natural Amino Acid Residues MICA, TAP1, CD74 HTT 1728/4885NPC1 2679/4885RAB9A 4047/4885

“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.