Sugi Predict

Sugi Predict / Compounds / SCHEMBL2355002

SCHEMBL2355002

SCHEMBL2355002

C=C(CCl)COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KCNA3 P22001 1/20 0.43
▸ MAOB P27338 3/20 0.42
▸ AOC2 O75106 2/20 0.42
▸ MAOA P21397 2/20 0.42
▸ AOC3 Q16853 2/20 0.42
▸ ALPL P05186 1/20 0.42
▸ ALPI P09923 1/20 0.42
▸ ALPG P10696 1/20 0.42
▸ DAO P14920 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PPARD Q03181 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7261032 0.87 ALOX15 (0.60) ALOX15ALDH1A1RECQLKMT2AMEN1
SCHEMBL10506183 0.82 ATF4 (0.44) ALDH1A1KMT2AMEN1RAB9AHPGD
SCHEMBL7261504 0.81 ALOX15 (0.54) ALOX15ALDH1A1RECQLKMT2AMEN1
SCHEMBL13749109 0.79 ALOX15 (0.52) ALOX15ALDH1A1RECQLKMT2AMEN1
SCHEMBL5786439 0.79 ALOX15 (0.47) ALOX15ALDH1A1RECQLKMT2AMEN1
SCHEMBL11439238 0.78 ALOX15 (0.56) ALOX15ALDH1A1RECQLKMT2AMEN1
SCHEMBL9602194 0.78 ALOX15 (0.60) ALOX15ALDH1A1RECQLKMT2AMEN1
SCHEMBL6618195 0.77 MAOB (0.43) ALDH1A1KMT2AMAOBHPGDSMN1; SMN2
SCHEMBL5085748 0.76 ALOX15 (0.48) ALOX15ALDH1A1RECQLKMT2AMEN1
SCHEMBL2354994 0.76 ALDH1A1 (0.51) ALDH1A1MAOBAOC3PPARD

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243766-B1 4-((phenoxyalkyl)thio)-phenoxyacetic acids for use in treating PPAR-delta mediated conditions JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 — — EP disclosed
EP-2243766-B1 4-((phenoxyalkyl)thio)-phenoxyacetic acids for use in treating PPAR-delta mediated conditions JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 — — EP disclosed
US-8450371-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2013-05-28 — — US disclosed
US-8450371-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2013-05-28 — — US disclosed
US-8450371-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2013-05-28 — — US disclosed
US-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-12-20 — — US disclosed
US-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-12-20 — — US disclosed
US-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-12-20 — — US disclosed
EP-1670744-B9 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACI DS AND ANALOGS JANSSEN PHARMACEUTICA NV (BE) 2012-09-05 — — EP disclosed
US-8258177-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2012-09-04 — — US disclosed
WO-1998024445-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING SCHIZOPHRENIC DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 — — WO disclosed
WO-1998024443-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING BIPOLAR DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 — — WO disclosed
WO-1998024447-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING COGNITIVE DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 — — WO disclosed
WO-1998024442-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING SEXUAL DYSFUNCTION MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 — — WO disclosed
WO-1998024444-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING SUBSTANCE USE DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 — — WO disclosed
WO-1998024439-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING SEVERE ANXIETY DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 — — WO disclosed
WO-1998024440-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING STRESS DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 — — WO disclosed
WO-1998013369-A1 SPIRO-AZACYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1998-04-02 — — WO disclosed
WO-1997049710-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-31 — — WO disclosed
WO-1997019084-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 — — 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-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD ALOX15 980/4885ALDH1A1 1558/4885RECQL 4672/4885

“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.