SCHEMBL26252000

SCHEMBL26252000

CC(NC(=O)C(C)(C)C)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MMP2 P08253 2/20 0.43
CA9 Q16790 2/20 0.43
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33

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
SCHEMBL15116456 0.92 CA12 (0.53) EPHX2CA12CA1CA2MMP2
SCHEMBL19836585 0.90 CA12 (0.56) EPHX2CA12CA1CA2MMP2
SCHEMBL19652079 0.90 CA12 (0.56) EPHX2CA12CA1CA2MMP2
SCHEMBL22169802 0.87 CA12 (0.38) EPHX2CA12CA1CA2MMP2
SCHEMBL25755239 0.81 EPHX2 (0.42) EPHX2CA12CA1CA2MMP2
SCHEMBL22169795 0.80 MAPK1 (0.34) EPHX2CA12CA1CA2MMP2
SCHEMBL25583355 0.77 ALDH1A1 (0.36) SIGMAR1ALDH1A1KDM4EGAACYP2C9
SCHEMBL12965973 0.76 ALDH1A1 (0.33) SIGMAR1ALDH1A1KDM4EGAACYP2C9
SCHEMBL152945 0.76 SIGMAR1 (0.40) CA12CA1CA2MMP2CA9
SCHEMBL12462691 0.75 ALDH1A1 (0.35) ALDH1A1KDM4EGAACYP2C9HPGD

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-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 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-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 EPHX2 2882/4885CA12 4722/4885CA1 4736/4885

“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.