SCHEMBL762115

SCHEMBL762115

CC(=S)Oc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
NFE2L2 Q16236 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
FAAH O00519 1/20 0.37
METTL3 Q86U44 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL9257121 0.80 NFE2L2 (0.41) MAOBMAOANFE2L2KMT2AATM
SCHEMBL9051513 0.78 MAOA (0.42) MAOBMAOANFE2L2KMT2AMEN1
SCHEMBL27785246 0.78 NFE2L2 (0.40) MAOBMAOANFE2L2KMT2AATM
SCHEMBL20072412 0.78 CA1 (0.55) NOS3ALDH1A1CYP1A2HPGDACHE
SCHEMBL12835038 0.76 MAOB (0.41) MAOBMAOAKMT2AMEN1ATM
SCHEMBL742569 0.76 MAOA (0.41) MAOBMAOANFE2L2KMT2AMEN1
SCHEMBL660921 0.76 LMNA (0.64) MAOBKMT2AMEN1POLBATM
SCHEMBL16424483 0.76 MAOB (0.46) MAOBMAOAKMT2AMEN1NOS1
SCHEMBL12644763 0.76 NFE2L2 (0.39) MAOBMAOANFE2L2KMT2AATM
SCHEMBL10451909 0.76 MAOA (0.46) MAOBMAOANFE2L2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109897022-B Sphaelactone derivative, pharmaceutical composition thereof, preparation method and application thereof 中国医学科学院药物研究所 2021-09-14 CN disclosed
CN-112876495-A Parthenolide derivative, pharmaceutical composition thereof, preparation method and application thereof 中国医学科学院药物研究所 2021-06-01 CN disclosed
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-8138344-B2 Process for the preparation of rapamycin derivatives NOVARTIS AG (CH) 2012-03-20 US disclosed
US-8138344-B2 Process for the preparation of rapamycin derivatives NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US disclosed
US-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2010-06-24 US disclosed
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed
US-20090012298-A1 Process for the Preparation of Rapamycin Derivatives NOVARTIS AG (CH) 2009-01-08 US disclosed
US-20090012298-A1 Process for the Preparation of Rapamycin Derivatives NOVARTIS AG (CH) 2009-01-08 US disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
WO-2007085400-A1 PROCESS FOR THE PREPARATION OF RAPAMYCIN DERIVATIVES NOVARTIS AG (CH) 2007-08-02 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 (4 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-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES RNMT, VEGFA, VHL MAOB 1572/4885MAOA 1907/4885NFE2L2 68/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF MAOB 706/4885MAOA 1464/4885NFE2L2 158/4885
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF MAOB 1594/4885MAOA 1749/4885NFE2L2 47/4885
US-20090012298-A1 Process for the Preparation of Rapamycin Derivatives MLST8, RICTOR, MTOR MAOB 2861/4885MAOA 3503/4885NFE2L2 4448/4885

“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.