SCHEMBL1199150

SCHEMBL1199150

O=C(O)CCS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.63
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KDM4E B2RXH2 1/20 0.60
KMT2A Q03164 2/20 0.59
PAX8 Q06710 1/20 0.59
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
APEX1 P27695 1/20 0.49
EIF4H Q15056 1/20 0.48

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
SCHEMBL7870815 0.82 HTT (0.64) HSD11B1HTTNPSR1KDM4EKMT2A
SCHEMBL1001018 0.82 HSD11B1 (0.69) HSD11B1HTTNPSR1KDM4EALDH1A1
SCHEMBL7874006 0.81 HTT (0.62) HSD11B1HTTNPSR1KDM4EKMT2A
SCHEMBL7704838 0.81 ALDH1A1 (0.67) HTTNPSR1KDM4EKMT2APAX8
SCHEMBL12106076 0.81 HTT (0.62) HSD11B1HTTNPSR1KDM4EKMT2A
SCHEMBL7869978 0.81 HTT (0.62) HSD11B1HTTNPSR1KDM4EKMT2A
SCHEMBL1940753 0.81 HSD11B1 (0.63) HSD11B1HTTNPSR1KDM4EKMT2A
SCHEMBL947975 0.81 HSD11B1 (0.63) HSD11B1HTTNPSR1KDM4EKMT2A
SCHEMBL25228630 0.80 KMT2A (0.55) HSD11B1HTTKMT2APAX8ALDH1A1
SCHEMBL10203496 0.80 MMP2 (0.63) HSD11B1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888351-B2 Organic compounds NOVARTIS AG (CH) 2011-02-15 US disclosed
US-20110034462-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2011-02-10 US disclosed
US-20090281069-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-11-12 US disclosed
CN-101472892-A Organic compounds NOVARTIS AG (CH) 2009-07-01 CN disclosed
EP-2007723-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-31 EP disclosed
WO-2007115821-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 WO disclosed
US-RE39680-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-7183282-B2 Substituted heterocycle fused γ-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-27 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20060148808-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2006-07-06 US disclosed
US-7071186-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2006-07-04 US disclosed
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-04 US disclosed
EP-1189904-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-22 EP disclosed
US-20040034015-A1 Substituted heterocycle fused gamma-carbolines ROBICHAUD ALBERT J (US) 2004-02-19 US disclosed
US-6552017-B1 As serotonin agonists and antagonists and are useful in the control or prophylaxis of central nervous system disorders including obesity, anxiety, depression, psychosis, schizophrenia, sleep disorders, sexual disorders, migraine BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-22 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 (6 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-20040034015-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 HSD11B1 451/4885HTT 637/4885NPSR1 43/4885
US-20060148808-A1 Substituted heterocycle fused gamma-carbolines HTR2B, HTR1B, HTR3B HSD11B1 869/4885HTT 617/4885NPSR1 45/4885
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 HSD11B1 451/4885HTT 637/4885NPSR1 43/4885
US-20090281069-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 HSD11B1 374/4885HTT 1003/4885NPSR1 698/4885
US-20110034462-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 HSD11B1 374/4885HTT 1003/4885NPSR1 698/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 HSD11B1 2819/4885HTT 3441/4885NPSR1 4160/4885

“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.