SCHEMBL577480

SCHEMBL577480

Fc1ccc2c(c1)Cc1cc(F)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.49
CYP17A1 P05093 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
PARP1 P09874 2/20 0.43
CYP19A1 P11511 3/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9811056 0.93 PGR (0.49) PGRCYP17A1CA1CA2CA4
SCHEMBL17068947 0.89 ALDH1A1 (0.59) PGRCA1CA2CA4CA6
SCHEMBL5080927 0.89 ALDH1A1 (0.59) PGRCA1CA2CA4CA6
SCHEMBL29851576 0.89 ALDH1A1 (0.59) PGRCA1CA2CA4CA6
SCHEMBL24727675 0.87 PGR (0.49) PGRCYP17A1CA1CA2CA4
SCHEMBL23166405 0.87 TDP2 (0.46) PGRCYP17A1CA1CA2CA4
SCHEMBL24727227 0.87 METAP1 (0.47) PGRCYP17A1CA1CA2CA4
SCHEMBL6648813 0.87 LMNA (0.62) PGRCYP17A1CA1CA2CA4
SCHEMBL24727048 0.87 ESR1 (0.56) PGRCYP17A1CYP1A2CYP2C9HIF1A
Water SCHEMBL28759228 0.83

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
CN-101107260-B Transition metal complex, method for producing the same, substituted fluorene compound, method for producing the substituted fluorene compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and method for producing olefin polymer SUMITOMO CHEMICAL CO.,LTD. (JP) 2012-02-08 CN disclosed
US-8084559-B2 Ethylene-vinylcyclohexane copolymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
US-4968809-A Spirofluoreneisothiazolidinone dioxides as aldose reductase inhibitors NESTLE S.A. A COMPANY OF SWITZERLAND (CH) 1990-11-06 US disclosed
US-4864028-A ANTIDIABETIC AGENTS ALCON LABORATORIES, INC. (US) 1989-09-05 US disclosed
US-4717725-A SPIROCYCLIC AROMATIC IMIDES ALCON LABORATORIES, INC. (US) 1988-01-05 US disclosed
US-4540700-A Treatment of diabetic complications with certain spiro-imidazolidine-diones ALCON LABORATORIES, INC. (US) 1985-09-10 US disclosed
US-4537892-A ANTIDIABETIC AGENTS ALCON LABORATORIES, INC. (US) 1985-08-27 US disclosed
EP-0137333-A2 Spiro-tricyclicaromatic succinimide derivatives as inhibitors of aldose reductase ALCON LABORATORIES, INC. (US) 1985-04-17 EP disclosed
US-4438272-A COMPLICATIONS OF DIABETES ALCON LABORATORIES, INC. (US) 1984-03-20 US disclosed
US-4436745-A TETRACYCLIC SPIROHYDANTOINS ALCON LABORATORIES, INC. (US) 1984-03-13 US disclosed
WO-1983003543-A1 METHOD OF INHIBITING ALDOSE REDUCTASE ACTIVITY, COMPOSITIONS THEREFOR AND PROCESS FOR PREPARING SPIRO-FLUOROFLUOREN AND SPIRO-DIFLUOROFLUOREN COMPOUNDS ALCON LAB INC (US) 1983-10-27 WO disclosed
EP-0092385-A2 Hydantoin derivatives for use in inhibiting aldose reductase activity, compositions therefor and process for preparing spiro-fluoren compounds ALCON LABORATORIES, INC. (US) 1983-10-26 EP 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PGR 1739/4885CYP17A1 952/4885CA1 3721/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PGR 1739/4885CYP17A1 952/4885CA1 3721/4885

“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.