SCHEMBL23220284

SCHEMBL23220284

BCNC(C)(CCCCCC)CCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.38
GGPS1 O95749 7/20 0.38
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
SMPD1 P17405 2/20 0.32
CES2 O00748 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 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
SCHEMBL21155148 0.81 TSHR (0.40) FDPSGGPS1TSHRTHRBSMPD1
SCHEMBL5198960 0.81 TSHR (0.40) FDPSGGPS1TSHRTHRBSMPD1
SCHEMBL22414336 0.81 TSHR (0.40) FDPSGGPS1TSHRTHRBSMPD1
SCHEMBL22448942 0.81 TSHR (0.40) FDPSGGPS1TSHRTHRBSMPD1
SCHEMBL20643823 0.79 EPHX1 (0.44) FDPSGGPS1TSHRTHRB
SCHEMBL18525926 0.79 EPHX1 (0.39) FDPSGGPS1TSHRTHRBCES2
SCHEMBL24045162 0.79 EPHX1 (0.39) FDPSGGPS1TSHRTHRBCES2
SCHEMBL19352948 0.79 EPHX1 (0.39) FDPSGGPS1TSHRTHRBCES2
SCHEMBL21790405 0.77 EPHX1 (0.42) FDPSGGPS1TSHRTHRB
SCHEMBL19242564 0.74 TSHR (0.36) FDPSGGPS1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975065-B2 N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as CCR6 inhibitors PFIZER INC. (US) 2021-04-13 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-10975065-B2 N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as CCR6 inhibitors CCR6, CCR1, CCR3 FDPS 2881/4885GGPS1 3705/4885TSHR 2635/4885

“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.