SCHEMBL80470

SCHEMBL80470

Cc1cc(F)c(S)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
SELE P16581 1/20 0.36
RAPGEF4 Q8WZA2 4/20 0.34
NFE2L2 Q16236 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 3/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL79893 0.78 CYP11B1 (0.33) RAPGEF4ALDH1A1
SCHEMBL2089389 0.73 CES2 (0.36) RAPGEF4ALDH1A1
SCHEMBL30668 0.73 HDAC1 (0.48) SELLSELPSELERAPGEF4NFE2L2
SCHEMBL20261216 0.73 SELL (0.40) SELLSELPSELERAPGEF4NFE2L2
SCHEMBL12621 0.73 RAPGEF4 (0.52) SELLSELPSELERAPGEF4NFE2L2
SCHEMBL15496489 0.71 ALDH1A1 (0.42) SELLSELPSELERAPGEF4NFE2L2
Hydrochloric Acid SCHEMBL27564708 0.71 CES2 (0.35) RAPGEF4ALDH1A1
SCHEMBL458491 0.69
SCHEMBL13349219 0.69 HDAC1 (0.35) SELLSELPSELERAPGEF4NFE2L2
SCHEMBL19876048 0.69 HDAC1 (0.31) HDAC1HDAC6

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
WO-2023118576-A1 DHODH INHIBITORS CONTAINING A CARBOXYLIC ACID BIOISOSTERE IMMUNIC AG (DE) 2023-06-29 WO disclosed
EP-3458549-B1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2020-07-22 EP disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-20100210619-A1 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis MERCK SERONO SA (CH) 2010-08-19 US disclosed
US-7419706-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-02 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-20100210619-A1 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis S1PR1, S1PR5, S1PR3 SELL 281/4885SELP 102/4885SELE 319/4885

“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.