SCHEMBL4336056

SCHEMBL4336056

CC(C)OC(Cc1cn(CC#Cc2ccc(C(F)(F)F)cc2)c2ccccc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.46
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
PPARD Q03181 3/20 0.38
HTR6 P50406 1/20 0.37
SCN9A Q15858 1/20 0.37
PTGES O14684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
MMP2 P08253 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
SCHEMBL4332251 0.91 ADAM17 (0.47) ADAM17ALDH1A1MAPTRECQLPPARG
SCHEMBL4333067 0.88 ADAM17 (0.45) ADAM17ALDH1A1MAPTRECQLPPARG
SCHEMBL4336953 0.87 ADAM17 (0.46) ADAM17ALDH1A1MAPTRECQLMMP2
SCHEMBL13819823 0.84 HTR6 (0.54) ADAM17ALDH1A1MAPTPPARGPPARA
SCHEMBL4339658 0.81 ADAM17 (0.42) ADAM17ALDH1A1MAPTRECQLPTGES
SCHEMBL4335807 0.80 ADAM17 (0.40) ADAM17ALDH1A1MAPTRECQLPPARG
SCHEMBL13819344 0.78 ADAM17 (0.55) ADAM17ALDH1A1MAPTPPARGPPARA
SCHEMBL4335269 0.78 MCL1 (0.41) ADAM17ALDH1A1MAPTRECQLPPARA
SCHEMBL4335595 0.74 MAPT (0.45) ADAM17ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL13819345 0.72 KMT2A (0.53) ADAM17ALDH1A1MAPTHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 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 (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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 ADAM17 4781/4885ALDH1A1 844/4885MAPT 4654/4885

“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.