SCHEMBL4874131

SCHEMBL4874131

Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCc2ccc(OC(C)(C)C(=O)O)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.55
PPARD Q03181 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
PPARG P37231 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.42
PDE5A O76074 1/20 0.42
MAP4K4 O95819 1/20 0.42
KCNH2 Q12809 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 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
SCHEMBL4874167 0.93 PPARA (0.54) PPARAPPARDPOLBKDM4EPPARG
SCHEMBL4875329 0.92 CNR1 (0.51) PPARAPPARDSMN1; SMN2POLBPPARG
SCHEMBL4877901 0.92 PPARA (0.55) PPARAPPARDPOLBPPARGL3MBTL1
SCHEMBL4879685 0.91 PPARA (0.56) PPARAPPARDPOLBPPARGL3MBTL1
SCHEMBL4872840 0.90 PPARA (0.58) PPARAPPARDNPC1PPARGALDH1A1
SCHEMBL4878373 0.90 PPARA (0.54) PPARAPPARDPOLBPPARGL3MBTL1
SCHEMBL14197489 0.89 CNR1 (0.51) PPARAPPARDSMN1; SMN2POLBPPARG
SCHEMBL4876902 0.88 PPARA (0.46) PPARAPPARDPOLBL3MBTL1ALDH1A1
SCHEMBL4874680 0.87 PPARA (0.49) PPARAPPARDSMN1; SMN2POLBPPARG
SCHEMBL4867536 0.87 PPARA (0.58) PPARAPPARDNPC1PPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633747-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-A ACTIVATORS Pfizer Products Inc. (US) 2006-03-15 EP claimed
US-6987118-B2 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. (US) 2006-01-17 US claimed
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. 2004-12-09 US claimed
WO-2004103997-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-α ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-12-02 WO claimed
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants PFIZER INC. (US) 2008-04-24 US disclosed
EP-1824484-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS Pfizer Products Incorporated (US) 2007-08-29 EP disclosed
WO-2006054166-A1 DRUGS AND PRODRUGS USEFUL FOR THE TREATMENT OF ENERGY BALANCE IN RUMINANTS PFIZER PRODUCTS INC. (US) 2006-05-26 WO disclosed
EP-1633747-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-A ACTIVATORS Pfizer Products Inc. (US) 2006-03-15 EP disclosed
US-6987118-B2 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. (US) 2006-01-17 US disclosed
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. 2004-12-09 US disclosed
WO-2004103997-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS PPAR-α ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-12-02 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 (2 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-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PPARA, PPARG, PPARD PPARA 1/4885PPARD 3/4885SMN1; SMN2 4753/4885
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants ALPP, PIGS, GYS2 PPARA 614/4885PPARD 503/4885SMN1; SMN2 2882/4885

“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.