SCHEMBL4874065

SCHEMBL4874065

CCC(C)(Oc1ccc(OCCCc2cc(-c3ccc(Cl)cc3)no2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CXCR1 P25024 4/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
JAK2 O60674 1/20 0.43
NOTUM Q6P988 2/20 0.43
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
BCL2 P10415 1/20 0.41
PPARD Q03181 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
SCHEMBL4863236 0.91 PPARA (0.45) L3MBTL1MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL14269427 0.91 SMN1; SMN2 (0.46) L3MBTL1MAPTSMN1; SMN2RAB9ACXCR1
SCHEMBL14269421 0.91 SMN1; SMN2 (0.46) L3MBTL1MAPTSMN1; SMN2RAB9ACXCR1
SCHEMBL14269426 0.91 SMN1; SMN2 (0.46) L3MBTL1MAPTSMN1; SMN2RAB9ACXCR1
SCHEMBL14269452 0.91 MAPT (0.49) L3MBTL1MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL14269432 0.89 PPARD (0.45) L3MBTL1MAPTSMN1; SMN2RAB9APPARA
SCHEMBL14269428 0.86 PPARA (0.48) L3MBTL1MAPTSMN1; SMN2RAB9APPARA
SCHEMBL14294199 0.85 RAB9A (0.52) L3MBTL1MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL5796469 0.85 PPARG (0.45) MAPTSMN1; SMN2RAB9APOLBALDH1A1
SCHEMBL14269455 0.84 PPARD (0.46) RAB9APPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity DR REDDY'S LABORATORIES LIMITED (IN) 2008-02-21 US disclosed
US-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity DR REDDY'S LABORATORIES LIMITED (IN) 2008-02-21 US disclosed
US-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity DR REDDY'S LABORATORIES LIMITED (IN) 2008-02-21 US disclosed
WO-2006042245-A1 NOVEL ISOXAZOLE COMPOUNDS HAVING PPAR AGONIST ACTIVITY DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity PPARG, PPARA, PPARD L3MBTL1 4836/4885MAPT 4408/4885SMN1; SMN2 4709/4885

“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.