SCHEMBL8250024

SCHEMBL8250024

Cn1cc(S(=O)(=O)c2ccccc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.45
KDM4E B2RXH2 1/20 0.44
AKR1B1 P15121 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.40
LGALS3 P17931 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
AGTR1 P30556 1/20 0.37

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
SCHEMBL2054711 0.80 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2
SCHEMBL9915190 0.79 HTR6 (0.45) HTR6KDM4EAKR1B1TP53LGALS3
SCHEMBL22307381 0.75 AKR1B1 (0.41) HTR6KDM4EAKR1B1TP53LGALS3
SCHEMBL2096000 0.73 FPR2 (0.39) HTR6KDM4ECHRM2CHRM1ALDH1A1
SCHEMBL10354233 0.72 HTR6 (0.62) HTR6KDM4EAKR1B1TP53ALDH1A1
SCHEMBL31028661 0.71 CA1 (0.33)
(Phenylsulfonyl)Benzene SCHEMBL10987283 0.68 HTR6 (0.93) HTR6KDM4EPOLBALDH1A1HSD17B10
SCHEMBL31345714 0.67 HTR6 (0.54) HTR6KDM4EAKR1B1TP53POLB
(Phenylsulfonyl)Benzene SCHEMBL9642019 0.66 HTR6 (0.88) HTR6POLBALDH1A1HSD17B10TDP1
SCHEMBL16369913 0.66 HTR6 (0.59) HTR6KDM4EAKR1B1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-10-18 US disclosed
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-10-18 US disclosed
US-8198419-B2 Glycorandomization and production of novel erythromycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-12 US disclosed
US-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs THORSON JON 2011-05-26 US disclosed
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-10-30 US disclosed
US-7348309-B2 Glycorandomization and production of novel vancomycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-03-25 US disclosed
WO-2006134341-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2006-12-21 WO 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 (3 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-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 HTR6 3481/4885KDM4E 4530/4885AKR1B1 1694/4885
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs NMT2, NMT1, NAMPT HTR6 4427/4885KDM4E 4605/4885AKR1B1 1341/4885
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 HTR6 3520/4885KDM4E 4466/4885AKR1B1 1506/4885

“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.