SCHEMBL5018136

SCHEMBL5018136

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
DPP4 P27487 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 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
SCHEMBL142029 0.81
SCHEMBL19785475 0.81 TSHR (0.37) CA1CA2CA12MMP1MMP2
SCHEMBL18626021 0.79 CA12 (0.31) CA1CA2CA12MMP1MMP2
Hydrochloric Acid SCHEMBL28967104 0.79 CA12 (0.42) CA1CA2CA12MMP1MMP2
SCHEMBL18909885 0.77 CA12 (0.40) CA1CA2CA12MMP1MMP2
SCHEMBL18909884 0.77 CA12 (0.40) CA1CA2CA12MMP1MMP2
SCHEMBL12724859 0.77 CA12 (0.40) CA1CA2CA12MMP1MMP2
SCHEMBL23559895 0.75 CA1 (0.31) CA1CA2ALDH1A1CA7CA14
SCHEMBL12545610 0.74 CA12 (0.39) CA1CA2CA12MMP1MMP2
SCHEMBL19000042 0.74 CA12 (0.39) CA1CA2CA12MMP1MMP2

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-20240269094-A1 Treatment of canine dermatitis and skin irritation WEI EDWARD TAK (US) 2024-08-15 US disclosed
US-20230270883-A1 ACTIVE AGENT RELEASE PARTICLE OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-08-31 US disclosed
WO-2021133770-A1 NANOPARTICLE WITH SINGLE SITE FOR TEMPLATE POLYNUCLEOTIDE ATTACHMENT ILLUMINA, INC. (US) 2021-07-01 WO disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 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-20230270883-A1 ACTIVE AGENT RELEASE PARTICLE AIFM2, ACR, SLC40A1 CA1 1481/4885CA2 2111/4885CA12 2142/4885
US-20240269094-A1 Treatment of canine dermatitis and skin irritation CUTA, TAS2R5, TAS2R13 CA1 2912/4885CA2 1614/4885CA12 712/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CA1 4829/4885CA2 3312/4885CA12 4636/4885

“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.