SCHEMBL4812433

SCHEMBL4812433

CCC(=O)OP(=O)(OCC(F)(F)F)OCC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL4812428 0.81 HTT (0.34) HTTNPC1RAB9ASMN1; SMN2
SCHEMBL3599327 0.80 HTT (0.34) HTTSMN1; SMN2
SCHEMBL1563399 0.77 TSHR (0.55) TSHR
SCHEMBL939429 0.76 ALDH1A1 (0.39) SMN1; SMN2TSHR
SCHEMBL17956591 0.74 CYP3A4 (0.43) TSHR
SCHEMBL575208 0.73 SMN1; SMN2 (0.38) HTTSMN1; SMN2TSHR
SCHEMBL575366 0.73 TSHR (0.62) SMN1; SMN2TSHR
SCHEMBL5963227 0.73 TSHR (0.62) SMN1; SMN2TSHR
SCHEMBL2978260 0.72 HTT (0.34) HTTSMN1; SMN2
SCHEMBL1751365 0.72 TSHR (0.33) HTTNPC1RAB9ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623490-A The synthetic method of (2Z) -4- (dimethylamino) -2- butenoate hydrochlorates 苏州市贝克生物科技有限公司 2018-10-09 CN claimed
CN-108623490-A The synthetic method of (2Z) -4- (dimethylamino) -2- butenoate hydrochlorates 苏州市贝克生物科技有限公司 2018-10-09 CN disclosed
US-7351726-B2 Substituted oxadiazolidinediones WYETH (US) 2008-04-01 US disclosed
EP-1663213-A1 SUBSTITUTED OXADIAZOLIDINEDIONES AS PAI-1 INHIBITORS Wyeth (US) 2006-06-07 EP disclosed
EP-1429777-A4 OPHTHALMOLOGIC TREATMENT METHODS USING SELECTIVE INOS INHIBITORS PHARMACIA CORP (US) 2005-06-22 EP disclosed
WO-2005030204-A1 SUBSTITUTED OXADIAZOLIDINEDIONES AS PAI-1 INHIBITORS WYETH (US) 2005-04-07 WO disclosed
US-20050070585-A1 Substituted oxadiazolidinediones WYETH (US) 2005-03-31 US disclosed
EP-1429777-A1 OPHTHALMOLOGIC TREATMENT METHODS USING SELECTIVE INOS INHIBITORS Pharmacia Corporation (US) 2004-06-23 EP disclosed
WO-2003026668-A1 OPHTHALMOLOGIC TREATMENT METHODS USING SELECTIVE INOS INHIBITORS PHARMACIA CORPORATION (US) 2003-04-03 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 (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-20050070585-A1 Substituted oxadiazolidinediones OXA1L, COXFA4L2, DPYD HTT 2980/4885NPC1 3007/4885RAB9A 4175/4885

“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.