SCHEMBL12419079

SCHEMBL12419079

CC(C)C(=O)CN1CCCC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
PIK3CD O00329 1/20 0.56
LMNA P02545 5/20 0.49
HTT P42858 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM5 P08912 2/20 0.40

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
SCHEMBL14226117 0.95 TSHR (0.53) TSHRPIK3CDLMNAHTTKMT2A
SCHEMBL13841026 0.82 PIK3CD (0.53) TSHRPIK3CDLMNAKMT2AMEN1
SCHEMBL800617 0.80 PIK3CD (0.50) TSHRPIK3CDKMT2AMEN1
SCHEMBL20666231 0.79 LMNA (0.64) TSHRPIK3CDLMNAHTTKMT2A
SCHEMBL6935107 0.79 TSHR (0.66) TSHRPIK3CDLMNAHTTKMT2A
SCHEMBL15061933 0.77 TSHR (0.54) TSHRPIK3CDLMNAHTTKMT2A
SCHEMBL28268574 0.76 PIK3CD (0.55) TSHRPIK3CDLMNAHTTKMT2A
SCHEMBL948990 0.76 TSHR (0.68) TSHRPIK3CDLMNAHTTKMT2A
SCHEMBL27805701 0.76 TSHR (0.62) TSHRPIK3CDLMNAHTTKMT2A
SCHEMBL19010118 0.76 PIK3CD (0.50) TSHRPIK3CDLMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMA (US) 2022-05-05 US disclosed
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-09 US disclosed
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2020-08-27 US disclosed
US-9963478-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-08 US disclosed
US-9598454-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-21 US disclosed
US-9598454-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-21 US disclosed
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-08-18 US disclosed
US-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-07-14 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 (6 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-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS MPI, MANBA, MAN2A1 TSHR 4513/4885PIK3CD 1957/4885LMNA 3328/4885
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 TSHR 4513/4885PIK3CD 1957/4885LMNA 3328/4885
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds DHPS, CFTR, FDPS TSHR 3694/4885PIK3CD 951/4885LMNA 3585/4885
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 TSHR 4513/4885PIK3CD 1957/4885LMNA 3328/4885
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 TSHR 4513/4885PIK3CD 1957/4885LMNA 3328/4885
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 TSHR 4446/4885PIK3CD 714/4885LMNA 2583/4885

“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.