SCHEMBL26499454

SCHEMBL26499454

CC(C)S(=O)(=O)Cc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.49
TBXAS1 P24557 3/20 0.48
KDM4E B2RXH2 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
RECQL P46063 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
FDPS P14324 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1271311 0.82 NAPRT (0.49) NAPRTTBXAS1KDM4ECHRNB2CHRNA4
SCHEMBL1271314 0.79 CHRNB2 (0.50) NAPRTTBXAS1CHRNB2CHRNA4CYP1A2
SCHEMBL12139973 0.79 SMN1; SMN2 (0.46) NAPRTTBXAS1CHRNB2CHRNA4CYP1A2
SCHEMBL27468836 0.79 CYP1A2 (0.52) NAPRTCHRNB2CHRNA4LMNACYP1A2
SCHEMBL18571274 0.78 ALDH1A1 (0.49) TBXAS1CHRNB2CHRNA4PKMKMT2A
SCHEMBL5696687 0.78 CHRNB2 (0.50) NAPRTCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL14011299 0.78 NAMPT (0.51) TBXAS1CHRNB2CHRNA4LMNA
SCHEMBL14011331 0.77 ALDH1A1 (0.45) TBXAS1CYP1A2CYP2D6
SCHEMBL3252117 0.77 CA1 (0.52) KMT2A
SCHEMBL24425794 0.76 ALDH1A1 (0.42) TBXAS1KMT2ACYP1A2CYP2D6RECQL

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
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-20130040998-A1 FLUORINATED HDAC INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-02-14 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 (2 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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NAPRT 3455/4885TBXAS1 202/4885KDM4E 3761/4885
US-20130040998-A1 FLUORINATED HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 NAPRT 517/4885TBXAS1 4199/4885KDM4E 295/4885

“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.