SCHEMBL989761

SCHEMBL989761

[BH4-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.63
HIF1A Q16665 1/20 0.55
CYP1A2 P05177 2/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CALM1 P0DP23 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
LAP3 P28838 3/20 0.39
ANPEP P15144 1/20 0.39

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
SCHEMBL29918368 0.97 SNCA (0.65) SNCAHIF1ACYP1A2EPHX1ALDH1A1
Water SCHEMBL3422802 0.95 SNCA (0.63) SNCAHIF1ACYP1A2EPHX1ALDH1A1
Iodide SCHEMBL159922 0.95 SNCA (0.63) SNCAHIF1ACYP1A2EPHX1ALDH1A1
Bromide SCHEMBL163158 0.95 SNCA (0.67) SNCAHIF1ACYP1A2EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL494 0.95 SNCA (0.63) SNCAHIF1ACYP1A2EPHX1ALDH1A1
Fluoride Ion SCHEMBL585089 0.95 SNCA (0.63) SNCAHIF1ACYP1A2EPHX1ALDH1A1
Bromide SCHEMBL8331435 0.92 SNCA (0.64) SNCAHIF1ACYP1A2EPHX1ALDH1A1
Fluoride Ion SCHEMBL6664234 0.92 SNCA (0.61) SNCAHIF1ACYP1A2EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL28828301 0.92 SNCA (0.61) SNCAHIF1ACYP1A2EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL11808415 0.92 SNCA (0.61) SNCAHIF1ACYP1A2EPHX1ALDH1A1

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
US-7223604-B1 Methods and kits for the detection of erythrocytes SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2007-05-29 US claimed
EP-2896609-B1 Crystalline fingolimod citrate for the treatment of relapsing-remitting multiple sclerosis RATIOPHARM GMBH (DE) 2018-06-27 EP disclosed
EP-2807143-B1 PROCESS FOR PREPARATION OF FINGOLIMOD GLENMARK GENERICS LTD (IN) 2017-08-30 EP disclosed
EP-2896609-A1 Crystalline fingolimod citrate for the treatment of relapsing-remitting multiple sclerosis ratiopharm GmbH (DE) 2015-07-22 EP disclosed
US-9056813-B2 Process for preparation of fingolimod GLENMARK GENERICS LIMITED (IN) 2015-06-16 US disclosed
EP-2807143-A2 PROCESS FOR PREPARATION OF FINGOLIMOD Glenmark Generics Limited (IN) 2014-12-03 EP disclosed
US-8766005-B2 Process for producing fingolimod salts RATIOPHARM GMBH (DE) 2014-07-01 US disclosed
WO-2013111162-A2 PROCESS FOR PREPARATION OF FINGOLIMOD GLENMARK GENERICS LIMITED (IN) 2013-08-01 WO disclosed
US-20120184617-A1 PROCESS FOR PRODUCING FINGOLIMOD SALTS RATIOPHARM GMBH (DE) 2012-07-19 US disclosed
EP-2456752-A2 PROCESS FOR PRODUCING FINGOLIMOD SALTS ratiopharm GmbH (DE) 2012-05-30 EP disclosed
WO-2011009634-A2 PROCESS FOR PRODUCING FINGOLIMOD SALTS RATIOPHARM GMBH (DE) 2011-01-27 WO disclosed
US-7223604-B1 Methods and kits for the detection of erythrocytes SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2007-05-29 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 (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-20120184617-A1 PROCESS FOR PRODUCING FINGOLIMOD SALTS S1PR4, S1PR2, S1PR3 SNCA 2186/4885HIF1A 3372/4885CYP1A2 654/4885

“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.