SCHEMBL784785

SCHEMBL784785

O=S(=O)(c1ccccc1)N(F)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.57
HSD11B1 P28845 1/20 0.53
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR2 P34972 2/20 0.49
NR3C1 P04150 1/20 0.49
TAS2R14 Q9NYV8 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PTPN1 P18031 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ESR1 P03372 1/20 0.47
CA2 P00918 1/20 0.47
RORC P51449 1/20 0.47
LMNA P02545 1/20 0.46
NR1I2 O75469 1/20 0.45

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
SCHEMBL984791 0.79 TAS2R14 (0.71) HSD11B1ALDH1A1CNR2TAS2R14MEN1
SCHEMBL28308667 0.79 SERPINE1 (0.64) APOBEC3GHSD11B1ALDH1A1SMN1; SMN2CNR2
SCHEMBL17333377 0.78 APOBEC3G (0.59) APOBEC3GHSD11B1ALDH1A1SMN1; SMN2CNR2
SCHEMBL4755722 0.78 CA2 (0.64) ALDH1A1CA2
SCHEMBL407669 0.76 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL5966695 0.76 HSD11B1 (0.53) APOBEC3GHSD11B1ALDH1A1SMN1; SMN2CNR2
SCHEMBL3555916 0.74 TDP1 (0.58) APOBEC3GSMN1; SMN2MEN1KMT2AESR1
SCHEMBL5330652 0.74 ESR1 (0.78) ALDH1A1SMN1; SMN2CNR2NR3C1MEN1
SCHEMBL17493156 0.74 KEAP1 (0.56) APOBEC3GHSD11B1ALDH1A1KMT2AL3MBTL1
SCHEMBL27731679 0.74 APOBEC3G (0.61) APOBEC3GHSD11B1ALDH1A1SMN1; SMN2TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280718-A1 NOVEL ANTIBACTERIAL AGENTS MERCK SHARP & DOHME (US) 2016-09-29 US disclosed
US-9200026-B2 Antibacterial agents MERCK SHARP & DOHME CORP. (US) 2015-12-01 US disclosed
US-8343936-B2 Antibacterial agents OPTIMER PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-20120071429-A1 Novel antibacterial agents TETARD, INC. 2012-03-22 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 (2 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-20160280718-A1 NOVEL ANTIBACTERIAL AGENTS MRPL21, MRPL12, CTSA APOBEC3G 4707/4885HSD11B1 2909/4885ALDH1A1 4735/4885
US-20120071429-A1 Novel antibacterial agents MRPL21, CTSA, MRPL12 APOBEC3G 4629/4885HSD11B1 2762/4885ALDH1A1 4594/4885

“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.