SCHEMBL21900516

SCHEMBL21900516

CC(C)(C)Oc1ccc(C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.51
PPARG P37231 3/20 0.50
PPARA Q07869 2/20 0.50
FABP2 P12104 1/20 0.50
SLC22A12 Q96S37 1/20 0.50
LTA4H P09960 1/20 0.48
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL20076975 0.90 ELANE (0.60) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL10552166 0.85 ELANE (0.55) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL11440957 0.84 PPARA (0.71) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL4977051 0.84 NFE2L2 (0.41) PPARGCYP1A2ACHESLC6A2CYP2C19
SCHEMBL7929195 0.83 NPC1 (0.54) LTA4HABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5281549 0.83 ELANE (0.64) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL3418004 0.83 ELANE (0.66) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL17302417 0.83 LMNA (0.61) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL22113261 0.82 ELANE (0.43) ELANEPPARGPPARAFABP2SLC22A12
SCHEMBL22569386 0.81 SRD5A2 (0.61) ELANEPPARGPPARAFABP2SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-09 US disclosed
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-04-23 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 (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-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ELANE 276/4885PPARG 1686/4885PPARA 2878/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ELANE 276/4885PPARG 1686/4885PPARA 2878/4885

“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.