SCHEMBL3852465

SCHEMBL3852465

COc1cc(C)c(Br)cc1S(N)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
PKM P14618 2/20 0.58
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
GLA P06280 1/20 0.42
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA1 P00915 2/20 0.42
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRKDC P78527 1/20 0.39

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
SCHEMBL19057028 0.85 PKM (0.67) TSHRSMN1; SMN2PKMMAPK1HTT
SCHEMBL31172608 0.85 PKM (0.61) TSHRSMN1; SMN2PKMCA12CA2
SCHEMBL18726107 0.84 TSHR (0.60) TSHRSMN1; SMN2PKMCYP1A2CYP2C19
SCHEMBL13680440 0.84 TSHR (0.60) TSHRSMN1; SMN2PKMCYP1A2CYP2C19
Water SCHEMBL7908328 0.82 TSHR (0.59) TSHRSMN1; SMN2PKMCYP1A2CYP2C19
SCHEMBL8777836 0.81 PKM (0.73) TSHRSMN1; SMN2PKMCYP1A2CYP2C19
SCHEMBL6585989 0.80 TSHR (0.66) TSHRSMN1; SMN2PKMHTTGLA
SCHEMBL11688578 0.80 PKM (0.70) TSHRPKMCA12CA2CA9
SCHEMBL11715302 0.79 PKM (0.58) TSHRSMN1; SMN2PKMMAPK1HTT
SCHEMBL20182618 0.78 POLB (0.53) TSHRSMN1; SMN2CYP2C19CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582766-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-7582766-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
EP-1636200-A2 INHIBITORS OF PAPILLOMA VIRUS Boehringer Ingelheim International GmbH (DE) 2006-03-22 EP disclosed
US-20050014791-A1 Inhibitors of papilloma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
WO-2004108673-A2 INHIBITORS OF PAPILLOMA VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-16 WO disclosed
US-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 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-20050014791-A1 Inhibitors of papilloma virus TPD52L2, ZC3HAV1, CCNE2 TSHR 4256/4885SMN1; SMN2 4778/4885PKM 2346/4885

“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.