SCHEMBL3199874

SCHEMBL3199874

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.53
LMNA P02545 1/20 0.47
PTGS2 P35354 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1H2 P55055 3/20 0.45
NR1H3 Q13133 3/20 0.45
RXRA P19793 2/20 0.45
PFKFB3 Q16875 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
ACLY P53396 1/20 0.44
USP28 Q96RU2 3/20 0.43
RORC P51449 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
SCHEMBL3208881 0.93 LMNA (0.50) CAMKK2LMNAPTGS2MEN1ALDH1A1
SCHEMBL3211567 0.88 LMNA (0.53) LMNAPTGS2USP28
SCHEMBL3199738 0.86 LMNA (0.54) LMNAPTGS2USP28
SCHEMBL29374737 0.85 CAMKK2 (0.59) CAMKK2PTGS2RXRAPFKFB3CSNK2A2
SCHEMBL2342732 0.85 CAMKK2 (0.59) CAMKK2PTGS2RXRAPFKFB3CSNK2A2
SCHEMBL3205630 0.82 TSHR (0.55) MEN1ALDH1A1KMT2ARXRA
SCHEMBL4252833 0.80 KMO (0.59) CAMKK2LMNAPTGS2ALDH1A1RXRA
SCHEMBL3216304 0.80 EGFR (0.51) RXRA
SCHEMBL3211804 0.79 KMO (0.62) LMNAMEN1KMT2ARXRA
SCHEMBL16566150 0.79 MAPT (0.56) CAMKK2PTGS2MEN1ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B CAMKK2 1334/4885LMNA 1934/4885PTGS2 1088/4885

“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.