SCHEMBL6623175

SCHEMBL6623175

Cc1ccc2c(c1O)CCCO2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.38
▸ HTR2A P28223 7/20 0.38
▸ HTR2B P41595 7/20 0.38
▸ HTR1A P08908 6/20 0.38
▸ HTR1D P28221 5/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ HTR4 Q13639 2/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ MTNR1A P48039 4/20 0.37
▸ MTNR1B P49286 3/20 0.37
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ MAP3K14 Q99558 1/20 0.36

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
SCHEMBL5546117 0.90 MAOA (0.46) HTR2CHTR2AHTR2BMAOAMAOB
SCHEMBL13035776 0.80 HTR2C (0.43) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL1143507 0.79 HTR2C (0.45) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL19810478 0.77 HTR2C (0.38) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL14405274 0.77 HTR2C (0.38) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL13861841 0.77 HTR2C (0.38) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL21500751 0.75 SMN1; SMN2 (0.32) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL20778163 0.75 ALDH1A1 (0.37) MAOAMAOBMAP3K14
SCHEMBL21872053 0.74 HTR2C (0.40) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL21872027 0.74 HTR2C (0.43) HTR2CHTR2AHTR2BHTR1AHTR1D

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
EP-2220046-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2014-06-18 — — EP disclosed
US-6833380-B2 Thiazole or oxazole derivatives such as (4-(4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethylsulfanyl)-5-oxo -5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid WARNER-LAMBERT COMPANY, LLC 2004-12-21 — — US disclosed
EP-1485091-A1 THIAZOLE AND OXAZOLE DERIVATIVES THAT MODULATE PPAR ACTIVITY Warner-Lambert Company LLC (US) 2004-12-15 — — EP disclosed
US-20030207916-A1 Thiazole or oxazole derivatives such as (4-(4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethylsulfanyl)-5-oxo -5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid CHENG XUE-MIN (US) 2003-11-06 — — US disclosed
WO-2003074052-A1 THIAZOLE AND OXAZOLE DERIVATIVES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2003-09-12 — — 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-20030207916-A1 Thiazole or oxazole derivatives such as (4-(4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethylsulfanyl)-5-oxo -5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid PPARA, PPARD, PPARG HTR2C 2627/4885HTR2A 3243/4885HTR2B 3115/4885

“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