SCHEMBL2280422

SCHEMBL2280422

CCCO[C@H]1CC[C@@H](C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
LMNA P02545 1/20 0.41
PPM1B O75688 2/20 0.38
PTPN1 P18031 2/20 0.38
PPP1CC P36873 2/20 0.38
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL11159892 1.00 PLG (0.41) PLGPLATLMNAPPM1BPTPN1
SCHEMBL601771 1.00 PLG (0.41) PLGPLATLMNAPPM1BPTPN1
SCHEMBL849072 0.89 PPP5C (0.42) PLGPLATLMNAEPHX2S1PR5
SCHEMBL8969589 0.89 PPM1B (0.36) PLGPLATLMNAPPM1BPTPN1
SCHEMBL2497591 0.87 EPHX2 (0.47) EPHX2S1PR5
SCHEMBL11406200 0.85 S1PR5 (0.46) EPHX2S1PR5
SCHEMBL11672195 0.85 S1PR5 (0.46) EPHX2S1PR5
SCHEMBL601347 0.85 LMNA (0.45) PLGPLATLMNAPPM1BPTPN1
SCHEMBL8453791 0.85 LMNA (0.45) PLGPLATLMNAPPM1BPTPN1
SCHEMBL3912901 0.83 SMN1; SMN2 (0.33) PLGPLATLMNAPPM1BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191088-B1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY & BEDFORD NEW COLLEGE (GB) 2020-12-16 EP claimed
US-10301263-B2 Anticonvulsant compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2019-05-28 US claimed
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 US claimed
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 EP claimed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 WO claimed
EP-3191088-B1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY & BEDFORD NEW COLLEGE (GB) 2020-12-16 EP disclosed
US-10301263-B2 Anticonvulsant compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2019-05-28 US disclosed
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 US disclosed
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 EP disclosed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 WO disclosed
EP-1996189-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-09-26 EP disclosed
US-20110207777-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE TELECOM IP LIMITED 2011-08-25 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-20110207777-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 PLG 1774/4885PLAT 2965/4885LMNA 2869/4885
US-20170305859-A1 An Anticonvulsant Compound PSEN2, BACE2, APP PLG 1367/4885PLAT 1146/4885LMNA 2224/4885
US-10301263-B2 Anticonvulsant compound PSEN2, BACE2, APP PLG 1351/4885PLAT 1071/4885LMNA 2621/4885

“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.