SCHEMBL904211

SCHEMBL904211

Cc1ccc(C(=O)CC[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
GSK3B P49841 1/20 0.50
PKM P14618 2/20 0.49
MEN1 O00255 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PAX8 Q06710 1/20 0.46
CTNNB1 P35222 4/20 0.46
WNT3A P56704 4/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL14359111 0.81 GSK3B (0.52) KMT2AGSK3BMEN1CES2CES1
SCHEMBL104262 0.81 GSK3B (0.53) KMT2AGSK3BPKMMEN1NPC1
SCHEMBL904220 0.81 TDP1 (0.55) KMT2AGSK3BMEN1NPC1RAB9A
SCHEMBL16552778 0.80 KMT2A (0.83) KMT2AGSK3BPKMMEN1NPC1
SCHEMBL9419411 0.76 KMT2A (0.69) KMT2AGSK3BMEN1NPC1RAB9A
SCHEMBL903614 0.75 THRA (0.65) KMT2AMEN1ALDH1A1MAPT
SCHEMBL8402203 0.74 KMT2A (0.67) KMT2AGSK3BMEN1NPC1RAB9A
SCHEMBL10854341 0.74 KMT2A (0.67) KMT2AGSK3BMEN1NPC1RAB9A
SCHEMBL8750840 0.74 KMT2A (0.67) KMT2AGSK3BMEN1NPC1RAB9A
SCHEMBL507742 0.74 HSD17B3 (0.69) KMT2AGSK3BMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621886-B1 PROCESS FOR MAKING FINGOLIMOD SYNTHON BV (NL) 2018-05-02 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-20130217899-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD. (IL) 2013-08-22 US disclosed
WO-2012041359-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 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 KMT2A 1011/4885GSK3B 1509/4885PKM 382/4885

“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.