SCHEMBL21294833

SCHEMBL21294833

COC(=O)[C@H]1CC=C(OS(=O)(=O)C(F)(F)F)C[C@@H]1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.36
HTR1D P28221 3/20 0.36
DRD3 P35462 3/20 0.36
CXCR2 P25025 2/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA4 P22748 2/20 0.32
CA7 P43166 2/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MMP2 P08253 1/20 0.30
ANPEP P15144 1/20 0.30
CXCR1 P25024 1/20 0.30

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
SCHEMBL21294834 1.00 DRD2 (0.36) DRD2HTR1DDRD3CXCR2CA1
SCHEMBL19813572 0.84 CXCR2 (0.34) DRD2HTR1DDRD3CXCR2CA1
SCHEMBL19816457 0.84 CXCR2 (0.34) DRD2HTR1DDRD3CXCR2CA1
SCHEMBL15166948 0.81 DRD2 (0.34) DRD2HTR1DDRD3CXCR2CA1
SCHEMBL15166968 0.81 DRD2 (0.34) DRD2HTR1DDRD3CXCR2CA1
SCHEMBL18204592 0.80 DRD2 (0.32) DRD2HTR1DDRD3CXCR2LMNA
SCHEMBL18204785 0.78 MAPK1 (0.33) DRD2HTR1DDRD3MAPK1
SCHEMBL18821595 0.78 ALDH1A1 (0.34) DRD2HTR1DDRD3CA1CA2
SCHEMBL31579889 0.77 DRD2 (0.35) DRD2HTR1DDRD3CXCR2CA1
SCHEMBL15166713 0.77 BRD4 (0.38) DRD2HTR1DDRD3CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 US disclosed
US-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
CN-112041313-A Pyridine-sulfonamide compounds and their use against pain and related conditions 基因泰克公司 2020-12-04 CN disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 DRD2 3912/4885HTR1D 4433/4885DRD3 3833/4885
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 DRD2 2128/4885HTR1D 2211/4885DRD3 2377/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 DRD2 2128/4885HTR1D 2211/4885DRD3 2377/4885

“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.