SCHEMBL16585155

SCHEMBL16585155

CC(C)(Oc1ccc(F)c(Br)c1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FBP1 P09467 3/20 0.38
▸ TSHR P16473 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SLC9A1 P19634 2/20 0.36
▸ PPARG P37231 2/20 0.35
▸ FABP2 P12104 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16585114 0.86 PPARA (0.56) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL23124792 0.82 FBP1 (0.41) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL31357584 0.80 PPARA (0.61) PPARACYP1A2CYP3A4FBP1TSHR
SCHEMBL16585195 0.80 PPARA (0.61) PPARACYP1A2CYP3A4FBP1TSHR
SCHEMBL16584965 0.78 KIF11 (0.39) CYP1A2CYP2D6CYP2C19TSHRLMNA
SCHEMBL4688589 0.76 PPARA (0.48) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL3233909 0.76 KMT2A (0.47) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL27631287 0.75 MEN1 (0.52) MEN1MAPTKMT2ATSHRLMNA
SCHEMBL16593013 0.74 NPSR1 (0.33) CYP1A2CYP2D6CYP2C19TSHRLMNA
SCHEMBL7348145 0.74 PPARA (0.39) PPARACYP1A2CYP3A4MEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994558-B2 Multicyclic compounds and methods of using same Karyopharm Therapeutics Inc. (US) 2018-06-12 — — US disclosed
US-9994558-B2 Multicyclic compounds and methods of using same Karyopharm Therapeutics Inc. (US) 2018-06-12 — — US disclosed
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same Karyopharm Therapeutics Inc. (US) 2017-04-06 — — US disclosed
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same Karyopharm Therapeutics Inc. (US) 2017-04-06 — — US disclosed
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same Karyopharm Therapeutics Inc. (US) 2017-04-06 — — US disclosed
WO-2015042414-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USING SAME Karyopharm Therapeutics Inc. (US) 2015-03-26 — — WO disclosed
WO-2015042414-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USING SAME Karyopharm Therapeutics Inc. (US) 2015-03-26 — — 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-20170096417-A1 Multicyclic Compounds And Methods Of Using Same PAK4, PAK5, PAK1 PPARA 2518/4885CYP1A2 3406/4885CYP3A4 1226/4885

“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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