SCHEMBL6780924

SCHEMBL6780924

CC(C)(Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ PPARA Q07869 7/20 0.53
▸ PPARG P37231 4/20 0.53
▸ PPARD Q03181 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ NR1H3 Q13133 1/20 0.50
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47

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
SCHEMBL247466 0.77 PPARA (0.68) KMT2APPARAPPARGPPARDMEN1
SCHEMBL29168850 0.76 KMT2A (0.57) SCN2ACA9CA12CA1CA2
SCHEMBL30758589 0.76 KMT2A (0.57) SCN2ACA9CA12CA1CA2
SCHEMBL7150732 0.75 GLA (0.61) SCN2ACA9CA12CA1CA2
Ammonia Solution, Strong SCHEMBL7026339 0.75 PPARA (0.66) KMT2APPARAPPARGPPARDMEN1
SCHEMBL7032523 0.75 PPARA (0.66) KMT2APPARAPPARGPPARDMEN1
Hydrochloric Acid SCHEMBL8889149 0.75 PPARA (0.66) KMT2APPARAPPARGPPARDMEN1
SCHEMBL2550387 0.74 NR1H3 (0.81) SCN2AKMT2AMEN1MAPTNR1H3
SCHEMBL13302880 0.74 MGLL (0.65) SCN2ACA9CA12CA1CA2
SCHEMBL9416379 0.74 PPARA (0.65) KMT2APPARAPPARGPPARDMEN1

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
US-20040176445-A1 Propionic acid derivatives BAYER PHARMACEUTICALS CORPORATION 2004-09-09 — — US disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 — — US disclosed
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 — — US disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 — — US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 — — US 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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG SCN2A 1924/4885CA9 3287/4885CA12 4176/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG SCN2A 1518/4885CA9 3839/4885CA12 4472/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG SCN2A 1518/4885CA9 3839/4885CA12 4472/4885

“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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