SCHEMBL1600128

SCHEMBL1600128

CCC(O)(CC)c1cccc(S)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 4/20 0.32
LCK P06239 1/20 0.32
TXK P42681 1/20 0.32
SYK P43405 1/20 0.32
ITK Q08881 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ESR2 Q92731 2/20 0.31
AR P10275 1/20 0.31
VDR P11473 1/20 0.30

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
SCHEMBL5950522 0.85 ESR1 (0.40) CHRM3CYP1A2CYP2C9CYP2C19CNR2
SCHEMBL1599127 0.78 AR (0.47) LMNAAR
SCHEMBL5160005 0.78 LMNA (0.50) CYP1A2CYP2C9CYP2C19CNR2LMNA
SCHEMBL4379660 0.78 ALDH1A1 (0.44) LMNAESR1ESR2
SCHEMBL629909 0.77 ESR1 (0.38) ESR1SYKESR2
SCHEMBL14253997 0.76 CHRM3 (0.33) CHRM3CYP1A2CYP2C9CYP2C19CNR2
SCHEMBL2716555 0.76 TSHR (0.50) CYP1A2CYP2C9CYP2C19CNR2
SCHEMBL1525128 0.76 CA1 (0.41) CHRM3
SCHEMBL14922832 0.76 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19CNR2LMNA
SCHEMBL6037776 0.74 HRH3 (0.39) CHRM3CYP1A2CYP2C9CYP2C19ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-7919621-B2 Tricyclic inhibitors of 5-lipoxygenase AMIRA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7919621-B2 Tricyclic inhibitors of 5-lipoxygenase AMIRA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7919621-B2 Tricyclic inhibitors of 5-lipoxygenase AMIRA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
EP-1978966-A2 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE Amira Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
WO-2007087250-A2 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-08-02 WO disclosed
WO-2007087250-A2 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-08-02 WO disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-7071178-B2 Use of vitamin D-derivatives in the treatment of osteoporosis and related bone disorders, as well as novel vitamin D3-derivatives LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) 2006-07-04 US disclosed
US-20040069523-A1 Use of Vitamin D-Derivatives in the Treatment of Osteoporosis and related bone disorders, as well as novel vitamin D3-Deviratives LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2004-04-15 US disclosed
EP-1255732-A1 USE OF VITAMIN D-DERIVATIVES IN THE TREATMENT OF OSTEOPOROSIS AND RELATED BONE DISORDERS, AS WELL AS NOVEL VITAMIN D3-DERIVATIVES Leo Pharma A/S (DK) 2002-11-13 EP disclosed
WO-2001056981-A1 USE OF VITAMIN D-DERIVATIVES IN THE TREATMENT OF OSTEOPOROSIS AND RELATED BONE DISORDERS, AS WELL AS NOVEL VITAMIN D3-DERIVATIVES LEO PHARMA A/S (DK) 2001-08-09 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 (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-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B CHRM3 2250/4885CYP1A2 189/4885CYP2C9 224/4885
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B CHRM3 2250/4885CYP1A2 189/4885CYP2C9 224/4885

“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.