SCHEMBL18155190

SCHEMBL18155190

CCc1cccc(-c2noc(C(C)(C)O)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 11/20 0.58
▸ ABCB1 P08183 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ S1PR1 P21453 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ BCL2 P10415 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TUBB4A P04350 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
SCHEMBL20614674 0.88 HPGDS (0.57) HPGDSABCB1CYP2D6CCR6S1PR1
SCHEMBL1669421 0.88 HPGDS (0.57) HPGDSABCB1CYP2D6CCR6S1PR1
Hydrochloric Acid SCHEMBL1669272 0.86 HPGDS (0.56) HPGDSABCB1CYP2D6CCR6L3MBTL1
SCHEMBL23894429 0.79 S1PR1 (0.53) HPGDSS1PR1S1PR3L3MBTL1NPC1
SCHEMBL10066488 0.78 L3MBTL1 (0.72) S1PR1S1PR3L3MBTL1LMNAMAPT
SCHEMBL13675222 0.78 RAB9A (0.57) L3MBTL1LMNATP53MAPTNPC1
SCHEMBL1669551 0.78 HPGDS (0.66) HPGDSCYP2D6KMT2A
SCHEMBL16652875 0.77 NPC1 (0.55) HPGDSABCB1CYP2D6CCR6L3MBTL1
SCHEMBL22562768 0.77 NOTUM (0.57) S1PR1S1PR3L3MBTL1LMNATP53
SCHEMBL11891931 0.76 HPGDS (0.46) HPGDSS1PR1S1PR3L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170231990-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI- AVENTIS (FR) 2017-08-17 — — US disclosed
US-9469627-B2 Phenyloxadiazole derivatives as PGDS inhibitors SANOFI (FR) 2016-10-18 — — 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-20170231990-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR HPGDS 6/4885ABCB1 1866/4885CYP2D6 611/4885

“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