SCHEMBL22797136

SCHEMBL22797136

O=Cc1ccc(C#CSI)o1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2A6 P11509 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 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
SCHEMBL6827112 0.72 GAA (0.41) ALDH1A1GAATSHRKDM4ELMNA
SCHEMBL14230737 0.70 GAA (0.40) ALDH1A1GAATSHRKDM4ELMNA
SCHEMBL2109624 0.70 KDM4E (0.47) ALDH1A1GAATSHRKDM4ELMNA
SCHEMBL9227451 0.70
SCHEMBL2305122 0.70
SCHEMBL2110165 0.68 CA12 (0.40) ALDH1A1GAATSHRKDM4ELMNA
SCHEMBL51391 0.67
SCHEMBL2108733 0.66 FFAR1 (0.38) ALDH1A1GAATSHRKDM4ELMNA
SCHEMBL27190897 0.66 POLB (0.43) ALDH1A1GAATSHRKDM4ELMNA
SCHEMBL2109417 0.66 ALDH1A1 (0.37) ALDH1A1GAATSHRKDM4ELMNA

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
WO-2023104976-A1 SMALL MOLECULE INHIBITORS OF INTERFERON GAMMA SIGNALING INSTITUT CURIE (FR) 2023-06-15 WO disclosed
US-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS KBP BIOSCIENCES CO., LTD. (CN) 2020-12-17 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 (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-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS PEPD, NRDC, DPP4 ALDH1A1 1492/4885GAA 273/4885TSHR 4388/4885

“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.