SCHEMBL10036593

SCHEMBL10036593

CCCCCCCC(=O)c1ccc(CCC[N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.59
THRB P10828 11/20 0.59
HSD17B3 P37058 6/20 0.55
HAO1 Q9UJM8 1/20 0.55
RARB P10826 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
SCHEMBL2731049 1.00 THRA (0.59) THRATHRBHSD17B3HAO1RARB
SCHEMBL903614 0.90 THRA (0.65) THRATHRBHAO1RARB
SCHEMBL11440891 0.85 THRA (0.79) THRATHRBHSD17B3HAO1RARB
SCHEMBL2724731 0.83 ALDH1A1 (0.61) HAO1RARB
SCHEMBL901008 0.83 ALDH1A1 (0.61) HAO1RARB
SCHEMBL2725127 0.83 ALDH1A1 (0.49) THRATHRBHAO1RARB
SCHEMBL8479392 0.82 HSD17B3 (0.69) THRATHRBHSD17B3HAO1
SCHEMBL9138023 0.81 THRA (0.72) THRATHRBHSD17B3HAO1RARB
SCHEMBL9075808 0.80 THRA (0.70) THRATHRBHSD17B3HAO1
SCHEMBL9075714 0.80 THRA (0.70) THRATHRBHSD17B3HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632889-B1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD (IL) 2018-08-29 EP disclosed
EP-3092222-B1 IMPROVED FINGOLIMOD PROCESS EMCURE PHARMACEUTICALS LTD (IN) 2018-02-14 EP disclosed
EP-3092222-A1 IMPROVED FINGOLIMOD PROCESS Emcure Pharmaceuticals Limited (IN) 2016-11-16 EP disclosed
WO-2015107548-A1 IMPROVED FINGOLIMOD PROCESS EMCURE PHARMACEUTICALS LIMITED (IN) 2015-07-23 WO disclosed
US-8735627-B2 Intermediate compounds and process for the preparation of fingolimod MAPI PHARMA LTD. (IL) 2014-05-27 US disclosed
US-8735627-B2 Intermediate compounds and process for the preparation of fingolimod MAPI PHARMA LTD. (IL) 2014-05-27 US disclosed
US-20130217899-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD. (IL) 2013-08-22 US disclosed
US-20130217899-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD. (IL) 2013-08-22 US disclosed
WO-2011159870-A9 METHODS AND COMPOUNDS FOR THE PREPARATION OF FLUORINE-LABELED DEOXY-FTY720 BRACCO IMAGING S.P.A. (IT) 2012-04-12 WO disclosed
WO-2011159870-A1 METHODS AND COMPOUNDS FOR THE PREPARATION OF FLUORINE-LABELED DEOXY-FTY720 BRACCO IMAGING S.P.A. (IT) 2011-12-22 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-20130217899-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD S1PR2, S1PR4, S1PR3 THRA 3775/4885THRB 3565/4885HSD17B3 1987/4885

“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.