SCHEMBL4826003

SCHEMBL4826003

CCSc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.61
STS P08842 2/20 0.56
HSD17B1 P14061 7/20 0.48
ESR1 P03372 4/20 0.47
ESR2 Q92731 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
G6PD P11413 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
DAB2IP Q5VWQ8 1/20 0.47
ADCY10 Q96PN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP19A1 P11511 2/20 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
SCHEMBL4825753 0.88 STS (0.68) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL14252890 0.88 STS (0.68) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL5143409 0.85 SHBG (0.74) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL28836993 0.84 SHBG (0.60) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL4075005 0.83 HSD17B1 (0.69) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL14252901 0.82 HSD17B1 (0.73) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL4822516 0.82 ESR1 (0.73) SHBGESR1ESR2KDM4EMEN1
SCHEMBL4822462 0.82 HSD17B1 (0.73) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL4822522 0.82 ESR1 (0.73) SHBGESR1ESR2KDM4EMEN1
SCHEMBL14252896 0.82 ESR1 (0.73) SHBGESR1ESR2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342004-B2 Thioether sulphamate steroids as steroid inhibitors and anti-cancer compounds STERIX LTD. (GB) 2008-03-11 US disclosed
US-20040009959-A1 Thioether sulphamate steroids as steroid inhibtors and anti-cancer compounds STERIX LIMITED (GB) 2004-01-15 US disclosed
EP-1311534-A1 THIOETHER-SULPHAMATE STEROIDS AS STEROID SULPHATASE INHIBITORS AND ANTI-CANCER COMPOUNDS Sterix Limited (GB) 2003-05-21 EP disclosed
WO-2002015910-A1 2-SUBSTITUTED ESTRADIOL DERIVATIVE FOR INHIBITING SUPEROXID DISMUTASE STERIX LIMITED (GB) 2002-02-28 WO disclosed
WO-2002016394-A1 THIOETHER-SULPHAMATE STEROIDS AS STEROID SULPHATASE INHIBITORS AND ANTI-CANCER COMPOUNDS STERIX LIMITED (GB) 2002-02-28 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 (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-20040009959-A1 Thioether sulphamate steroids as steroid inhibtors and anti-cancer compounds SULT1E1, HSD17B11, CYP17A1 SHBG 7/4885STS 12/4885HSD17B1 5/4885

“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.