SCHEMBL1859873

SCHEMBL1859873

Cc1ccc(N(C(=O)OC(C)(C)C)S(=O)(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.42
▸ THRB P10828 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HCRTR2 O43614 3/20 0.39
▸ STAT5B P51692 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ C5AR1 P21730 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
SCHEMBL1862225 0.90 KMT2A (0.43) F2ALDH1A1LMNAKMT2AMAPT
SCHEMBL1858551 0.84 MAPT (0.41) TP53THRBALDH1A1POLBLMNA
SCHEMBL1856336 0.82 KMT2A (0.48) TP53THRBALDH1A1POLBLMNA
SCHEMBL1860642 0.81 CA12 (0.38) TP53THRBF2ALDH1A1POLB
SCHEMBL1860213 0.80 ATM (0.38) F2ALDH1A1LMNAKMT2A
SCHEMBL1858294 0.76 KMT2A (0.47) TP53THRBF2ALDH1A1LMNA
SCHEMBL2968367 0.76 MMP2 (0.41) TP53F2LMNAKDM4ESTAT5B
SCHEMBL2377556 0.75 F2 (0.38) F2ALDH1A1LMNAKDM4ESTAT5B
SCHEMBL1860371 0.74 STAT5B (0.41) TP53ALDH1A1POLBHCRTR2STAT5B
SCHEMBL9452031 0.74 LMNA (0.42) TP53F2LMNAKDM4ESTAT5B

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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 — — 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS TP53 143/4885THRB 1416/4885F2 2826/4885

“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.

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