SCHEMBL24656388

SCHEMBL24656388

COc1ncc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
AURKA O14965 2/20 0.40
KDR P35968 2/20 0.40
AURKB Q96GD4 2/20 0.40
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.33
CFTR P13569 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
NFE2L2 Q16236 2/20 0.33
TSHR P16473 1/20 0.33
CCR4 P51679 1/20 0.32
ULK1 O75385 1/20 0.32

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
SCHEMBL9885336 0.86 CYP1A2 (0.42) PIK3R1PIK3CAAURKAKDRAURKB
SCHEMBL19154719 0.83 CFTR (0.38) HPGDCFTR
SCHEMBL9967856 0.78 PIK3CA (0.39) PIK3R1PIK3CACYP1A2CYP3A4CYP2C19
SCHEMBL5942469 0.78 AURKA (0.42) PIK3R1PIK3CAAURKAKDRAURKB
SCHEMBL13762857 0.77 PIK3CA (0.39) PIK3R1PIK3CAAURKAAURKBKMT2A
SCHEMBL30851250 0.76 AURKA (0.41) PIK3R1PIK3CAAURKAKDRAURKB
SCHEMBL322071 0.76 SSTR4 (0.42) PIK3R1PIK3CAAURKAKDRAURKB
SCHEMBL30851311 0.76 SSTR4 (0.42) PIK3R1PIK3CAAURKAKDRAURKB
SCHEMBL24968411 0.76 AURKA (0.41) PIK3R1PIK3CAAURKAKDRAURKB
SCHEMBL116558 0.76 PIK3CA (0.41) PIK3R1PIK3CAAURKAKDRAURKB

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-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PIK3R1 861/4885PIK3CA 519/4885AURKA 3364/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PIK3R1 861/4885PIK3CA 519/4885AURKA 3364/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PIK3R1 861/4885PIK3CA 519/4885AURKA 3364/4885

“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.