SCHEMBL7862085

SCHEMBL7862085

Cc1ccccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 2/20 0.49
TSHR P16473 1/20 0.49
AOC2 O75106 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL22656552 0.90 POLB (0.50) MAPTNPSR1SMN1; SMN2MEN1LMNA
SCHEMBL28879762 0.86 ALDH1A1 (0.47) NOTUMMAPTNPSR1SMN1; SMN2MEN1
SCHEMBL19423149 0.83 SMN1; SMN2 (0.62) MAPTNPSR1SMN1; SMN2LMNAALDH1A1
SCHEMBL24571526 0.82 DDB1 (0.46) NOTUMMAPTNPSR1SMN1; SMN2MEN1
SCHEMBL14499049 0.82 NOTUM (0.62) NOTUMMAPTNPSR1SMN1; SMN2MEN1
SCHEMBL9644169 0.82 MAPT (0.53) MAPTNPSR1SMN1; SMN2MEN1LMNA
SCHEMBL8372903 0.82 NPSR1 (0.45) MAPTNPSR1SMN1; SMN2MEN1LMNA
SCHEMBL12145899 0.82 POLB (0.44) MAPTNPSR1SMN1; SMN2MEN1LMNA
SCHEMBL10257400 0.82 NPSR1 (0.55) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL14277707 0.82 GRM4 (0.51) MAPTNPSR1SMN1; SMN2MEN1LMNA

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-9056862-B2 Thioxothiazolidine derivative having Ras function inhibitory effect NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2015-06-16 US disclosed
US-9056862-B2 Thioxothiazolidine derivative having Ras function inhibitory effect NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2015-06-16 US disclosed
US-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KNC LABORATORIES CO., LTD. (JP) 2014-07-10 US disclosed
US-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KNC LABORATORIES CO., LTD. (JP) 2014-07-10 US disclosed
EP-0972761-B1 Sulfonium salt and its manufacturing method KOREA KUMHO PETROCHEM CO LTD (KR) 2001-12-12 EP disclosed
US-6111143-A BY ONE-STEP REACTION BETWEEN SULFOXIDE COMPOUND AND AROMATIC COMPOUND IN PRESENCE OF PERFLUOROALKANESULFONIC ANHYDRIDE; USE AS POLYMERIZATION PHOTOINITIATOR, OR PHOTOACID GENERATOR LEAVING THE PROTECTION GROUPS OF ORGANIC COMPOUNDS KOREA KUMBO PETROCHEMICAL CO., LTD. (KR) 2000-08-29 US disclosed
EP-0972761-A1 Sulfonium salt and its manufacturing method Korea Kumho Petrochemical Co. Ltd. (KR) 2000-01-19 EP 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 (1 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-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KRAS, NRAS, RASSF5 NOTUM 3670/4885MAPT 3612/4885NPSR1 2607/4885

“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.