SCHEMBL5520110

SCHEMBL5520110

ClCc1cc(-c2ccccc2Cl)on1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.58
▸ MEN1 O00255 7/20 0.58
▸ KMT2A Q03164 7/20 0.58
▸ RAB9A P51151 7/20 0.58
▸ CYP1A2 P05177 4/20 0.58
▸ CYP2C19 P33261 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ HPGD P15428 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CYP2C9 P11712 1/20 0.51
▸ KLF5 Q13887 1/20 0.50
▸ CYP3A4 P08684 1/20 0.48
▸ SCD5 Q86SK9 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ NOTUM Q6P988 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
SCHEMBL38652165 0.85 NPC1 (0.57) NPC1MEN1KMT2ARAB9ACYP1A2
SCHEMBL14541588 0.85 NPC1 (0.57) NPC1MEN1KMT2ARAB9ACYP1A2
SCHEMBL5901584 0.81 SCD5 (0.41) NPC1MEN1KMT2ARAB9ACYP1A2
SCHEMBL19075328 0.77 NPC1 (0.60) NPC1MEN1KMT2ARAB9ACYP1A2
SCHEMBL1437486 0.77 NOTUM (0.68) NPC1MEN1KMT2ARAB9ACYP1A2
SCHEMBL2543197 0.75 NPC1 (0.57) NPC1MEN1KMT2ARAB9ACYP1A2
SCHEMBL8380650 0.75 NPC1 (0.52) NPC1MEN1KMT2ARAB9ACYP1A2
SCHEMBL12305022 0.75 ALDH1A1 (0.57) NPC1MEN1KMT2ARAB9ACYP1A2
SCHEMBL2304162 0.74 MAP4K4 (0.41) NPC1MEN1KMT2ARAB9ACYP1A2
SCHEMBL29043738 0.74 MEN1 (0.41) NPC1MEN1KMT2ARAB9ACYP1A2

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-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 — — US disclosed
US-6964983-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY, LLC (US) 2005-11-15 — — US disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 — — US disclosed
CN-1649820-A Compounds that modulate PPAR activity and methods for preparing the same WARNER LAMBERT CO (US) 2005-08-03 — — CN disclosed
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 — — US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 — — US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 — — EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 — — US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 — — 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 (3 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-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG NPC1 315/4885MEN1 3519/4885KMT2A 2937/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG NPC1 315/4885MEN1 3519/4885KMT2A 2937/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG NPC1 315/4885MEN1 3519/4885KMT2A 2937/4885

“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.

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