SCHEMBL9824190

SCHEMBL9824190

CC(C)(Oc1ccc([N+](=O)[O-])cc1F)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 1/20 0.47
▸ HSPB1 P04792 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PPARD Q03181 4/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL756056 0.81 PPARD (0.36) ALDH1A1L3MBTL1MAPTGAATHRB
SCHEMBL755872 0.80 TBXA2R (0.42) ALDH1A1MAPK1MAPTHTTPPARD
SCHEMBL1417730 0.79 KDM4E (0.49) ALDH1A1L3MBTL1MAPK1MAPTHTT
SCHEMBL8643566 0.79 HSPB1 (0.51) S1PR4HSPB1ALDH1A1L3MBTL1MAPK1
SCHEMBL17186845 0.77 HSPB1 (0.54) S1PR4HSPB1ALDH1A1L3MBTL1MAPT
SCHEMBL12004049 0.77 KDR (0.44) HSPB1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL1417566 0.76 PPARA (0.56) ALDH1A1MAPTPPARDPPARAPPARG
SCHEMBL4379631 0.76 RECQL (0.54) S1PR4HSPB1ALDH1A1L3MBTL1MAPK1
SCHEMBL4002337 0.75 PPARD (0.63) ALDH1A1MAPTGAAPPARDPSEN1
SCHEMBL1641896 0.75 ALDH1A1 (0.44) S1PR4HSPB1ALDH1A1L3MBTL1MAPK1

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
US-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 — — US disclosed
WO-2017051319-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-03-30 — — WO disclosed
EP-3131880-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2017-02-22 — — EP disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 — — US disclosed
WO-2015159233-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-10-22 — — WO disclosed
EP-0142328-B1 FLUOROPHENOXY COMPOUNDS, HERBICIDAL COMPOSITIONS AND METHODS THE DOW CHEMICAL COMPANY (US) 1991-04-17 — — EP disclosed
US-4888050-A GRASS CONTROL THE DOW CHEMICAL COMPANY (US) 1989-12-19 — — US disclosed
US-4750931-A GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1988-06-14 — — US disclosed
EP-0142328-A2 Fluorophenoxy compounds, herbicidal compositions and methods THE DOW CHEMICAL COMPANY (US) 1985-05-22 — — EP 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-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC S1PR4 1021/4885HSPB1 1112/4885ALDH1A1 1250/4885

“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.

Send feedback