SCHEMBL8159236

SCHEMBL8159236

C=CCc1c(C(=O)O)ccc2c1S(=O)(=O)NC2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.34
CA9 Q16790 7/20 0.34
CA2 P00918 5/20 0.34
CA1 P00915 4/20 0.34
CA7 P43166 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CA4 P22748 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
BCHE P06276 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
KMT2A Q03164 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
GAA P10253 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GLO1 Q04760 1/20 0.31

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
SCHEMBL7100055 0.75 CA12 (0.41) CA12CA9CA2CA1CA7
SCHEMBL996835 0.74 CYP1A2 (0.44) CA12CA9CA2CA1CA7
SCHEMBL19666184 0.72 CA12 (0.34) CA12CA9CA2CA1CA7
SCHEMBL1081860 0.70 CA12 (0.50) CA12CA9CA2CA1CA7
SCHEMBL82972 0.70 GABRA1 (0.45) CA12CA9CA2CA1CA7
SCHEMBL788899 0.68 SELL (0.45) CA12CA9CA2CA1CA7
SCHEMBL10706688 0.68 TSHR (0.40) CA12CA9CA2CA1CA7
SCHEMBL1758773 0.67 ALDH1A1 (0.46) CA12CA9CA2CA1CA7
SCHEMBL10693944 0.66 SRD5A1 (0.45) CA12CA9CA2CA1CA7
SCHEMBL1349070 0.66 GAA (0.39) KDM4EKMT2AGAATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6077852-A ADMINISTERING TO THE PATIENT SUFFERING FROM ALZHEIMER'S DISEASE A SUBSTITUTED BENZOTHIOPHENE DERIVATIVE ELI LILLY AND COMPANY (US) 2000-06-20 US disclosed
US-6030986-A POST-MENOPAUSAL SYNDROME, UTERINE FIBROID DISEASE, ENDOMETRIOSIS, AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION; ESTROGEN INDUCED UTERINE CANCER; OSTEOPOROSIS; RESTENOSIS; CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-5998441-A ANTICHOLESTEROL AGENT; MIXTURE WITH ESTROGEN ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
US-5985898-A INHIBITING HYPERLIPIDEMIA RESULTED FROM ESTROGEN DEFICIENCY DISEASE, REDUCING SERUM CHOLESTEROL, ELI LILLY AND COMPANY (US) 1999-11-16 US disclosed
US-5986109-A UROGENITAL DISORDERS, CARDIOVASCULAR DISORDERS AND ANTICARCINOGENIC AGENTS ELI LILLY AND COMPANY (US) 1999-11-16 US disclosed
US-5981765-A FOR TREATMENT OF POST-MENOPAUSAL SYNDROME INCLUDING OSTEOPOROSIS, CARDIOVASCULAR EFFECTS SUCH AS HYPERLIPIDEMIA, AND ESTROGEN-DEPENDENT CANCER, PARTICULARLY BREAST AND UTERINE CANCER ELI LILLY AND COMPANY (US) 1999-11-09 US disclosed
US-5977093-A INHIBITING ESTROGEN-DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5969142-A OXIDIZING SULFUR ATOM OF SUBSTITUTED BENZOTHIOPHENE, REACTING PRODUCT WITH NUCLEOPHILIC GROUP, REDUCING PRODUCT TO DESIRED COMPOUND ELI LILLY AND COMPANY (US) 1999-10-19 US disclosed