SCHEMBL24065714

SCHEMBL24065714

CSc1ccc(C(C)(C)C(C)(C)c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.54
AKR1C3 P42330 1/20 0.47
PTGS1 P23219 3/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 2/20 0.42
ENPP2 Q13822 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
KIF11 P52732 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL2991047 0.86 PTGS2 (0.67) PTGS2AKR1C3PTGS1ALDH1A1SMN1; SMN2
SCHEMBL14349351 0.78 ENPP2 (0.48) PTGS2AKR1C3ALDH1A1SMN1; SMN2ENPP2
SCHEMBL5923820 0.76 PTGS2 (0.56) PTGS2AKR1C3PTGS1ALDH1A1SMN1; SMN2
SCHEMBL14349350 0.73 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAATSHRKMT2A
SCHEMBL1107981 0.73 ALDH1A1 (0.64) PTGS2ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL22693607 0.72 ENPP2 (0.46) PTGS2AKR1C3SMN1; SMN2ENPP2
SCHEMBL942878 0.71 ENPP2 (0.54) PTGS2ENPP2
SCHEMBL13026657 0.71 TSHR (0.59) PTGS2ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL8974266 0.70 PTGS2 (0.62) PTGS2AKR1C3PTGS1TSHR
SCHEMBL212242 0.70 PTGS2 (1.00) PTGS2PTGS1

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-20210371375-A1 hTERT MODULATORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-12-02 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-20210371375-A1 hTERT MODULATORS AND METHODS OF USE TERT, TERF2, RB1 PTGS2 588/4885AKR1C3 1135/4885PTGS1 991/4885

“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.