SCHEMBL19968141

SCHEMBL19968141

CC(C)(S)c1ccccc(-c2ccccc2C#N)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
USP8 P40818 1/20 0.39
USP7 Q93009 1/20 0.39
ESR2 Q92731 1/20 0.39
TSHR P16473 1/20 0.37
PTPN5 P54829 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.37
AR P10275 2/20 0.36
GRM2 Q14416 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
GALR3 O60755 1/20 0.36
HPGD P15428 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
GLA P06280 2/20 0.34
MCL1 Q07820 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
SCHEMBL17031796 0.88 CA1 (0.40) CA1CA2USP8USP7ESR2
SCHEMBL17033197 0.75 TSHR (0.57) CA1CA2USP8USP7ESR2
SCHEMBL18307747 0.75 GRM2 (0.43) USP8USP7TSHRALDH1A1AR
SCHEMBL17031804 0.73 AR (0.38) USP8USP7ALDH1A1ARKDM4E
SCHEMBL222 0.73 ESR2 (0.60) CA1CA2USP8USP7ESR2
SCHEMBL29412287 0.73 ESR2 (0.60) CA1CA2USP8USP7ESR2
SCHEMBL19487718 0.72 CA1 (0.41) CA1CA2USP8USP7ESR2
SCHEMBL8251795 0.69 AR (0.62) ESR2PTPN5ARPDE3BPDE3A
SCHEMBL24617110 0.68 ESR2 (0.40) CA1CA2ESR2TSHRPTPN5
Bicarbonate SCHEMBL7256331 0.68 ESR2 (0.55) CA1CA2USP8USP7ESR2

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-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-03-15 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-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI CA1 3399/4885CA2 3284/4885USP8 4731/4885

“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.