SCHEMBL24249552

SCHEMBL24249552

C#CCOc1cccc(C(=O)C(=O)c2cccc(NC(=O)CCl)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GMPS P49915 2/20 0.81
HTT P42858 3/20 0.51
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
MAOB P27338 2/20 0.48
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.44
NR1H4 Q96RI1 4/20 0.44
RAB9A P51151 1/20 0.44
MAP2K7 O14733 1/20 0.43
EGFR P00533 2/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
RNF4 P78317 1/20 0.42

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
SCHEMBL31318106 0.89 GMPS (1.00) GMPSHTTMITFALDH1A1POLB
SCHEMBL21810993 0.89 GMPS (1.00) GMPSHTTMITFALDH1A1POLB
SCHEMBL31318110 0.89 GMPS (0.91) GMPSHTTMITFALDH1A1POLB
SCHEMBL24249569 0.89 GMPS (0.91) GMPSHTTMITFALDH1A1POLB
SCHEMBL20704575 0.75 GMPS (0.54) GMPSMAOBKMT2ARAB9A
SCHEMBL9154356 0.75 MAOB (0.59) GMPSMAOBSMN1; SMN2KMT2A
SCHEMBL21811226 0.74 GMPS (1.00) GMPSEGFR
SCHEMBL31237420 0.74 GMPS (1.00) GMPSEGFR
SCHEMBL16363804 0.74 SMN1; SMN2 (0.60) GMPSALDH1A1MAOBHSD17B10MAPT
SCHEMBL30180733 0.73 NR4A2 (0.59) GMPSMAOBKMT2ANR1H4RAB9A

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-20220048866-A1 NOVEL INHIBITORS OF GUANOSINE MONOPHOSPHATE SYNTHETASE AS THERAPEUTIC AGENTS UNIVERSITY OF SOUTHERN CALIFORNIA 2022-02-17 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-20220048866-A1 NOVEL INHIBITORS OF GUANOSINE MONOPHOSPHATE SYNTHETASE AS THERAPEUTIC AGENTS GMPS, CGAS, STING1 GMPS 1/4885HTT 4400/4885MITF 3326/4885

“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.