SCHEMBL3084455

SCHEMBL3084455

O=S(=O)(Cc1ccccc1)OCCCOC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.38
FKBP1A P62942 1/20 0.37
OPRM1 P35372 3/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
OPRK1 P41145 2/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL7619550 0.82 KMT2A (0.57) HPGDKMT2ATSHRALDH1A1
SCHEMBL4932875 0.77 HPGD (0.50) HPGDUSP2HSD17B10KMT2ATSHR
SCHEMBL8333942 0.77 LMNA (0.46) HPGDUSP2HSD17B10KMT2ATSHR
SCHEMBL16395235 0.76 FKBP1A (0.43) HPGDUSP2HSD17B10FKBP1A
SCHEMBL3084451 0.76 PKM (0.37) KMT2AALDH1A1
SCHEMBL27807030 0.76 OPRM1 (0.57) KMT2AOPRM1OPRK1OPRD1
SCHEMBL8338883 0.76 KMT2A (0.50) HPGDUSP2HSD17B10KMT2ATSHR
SCHEMBL16394945 0.76 HPGD (0.39) HPGDUSP2HSD17B10KMT2AFKBP1A
SCHEMBL16395203 0.75 FKBP1A (0.43) KMT2ATSHRFKBP1AOPRM1
SCHEMBL9309031 0.75 KMT2A (0.61) HPGDKMT2ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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-20070010511-A1 Organic compounds REN, ACE, ACE2 HPGD 423/4885USP2 3849/4885HSD17B10 1604/4885

“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.