SCHEMBL5779565

SCHEMBL5779565

CCOC(=O)c1c[nH]nc1Cc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 3/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
SLC26A6 Q9BXS9 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
AR P10275 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLA P06280 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL5777232 0.85 KDM4E (0.49) TSHRARALDH1A1KDM4EPOLB
SCHEMBL15622305 0.82 AR (0.47) KMT2AARALDH1A1KDM4EPOLB
SCHEMBL5778710 0.81 SMN1; SMN2 (0.52) L3MBTL1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL29025464 0.80 TSHR (0.41) TSHRNPC1KMT2ARAB9AALDH1A1
SCHEMBL5779014 0.78 PDE3B (0.49) TSHRRAB9AJAK2JAK3SLC26A6
SCHEMBL7512080 0.77 TSHR (0.50) TSHRKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17619356 0.76 AR (0.48) KMT2AARALDH1A1KDM4E
SCHEMBL20976756 0.76 AR (0.43) KMT2AARALDH1A1KDM4EPOLB
SCHEMBL3356162 0.76 KMT2A (0.49) L3MBTL1TSHRKMT2AALDH1A1KDM4E
SCHEMBL3582571 0.75 NPC1 (0.46) L3MBTL1TSHRNPC1KMT2ARAB9A

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
EP-2897953-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2019-05-08 EP disclosed
EP-2897953-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2019-05-08 EP disclosed
US-20170065586-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-20170065586-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-20170065586-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-9487508-B2 SGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2016-11-08 US disclosed
US-9487508-B2 SGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2016-11-08 US disclosed
US-9487508-B2 SGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2016-11-08 US disclosed
US-20150232461-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-08-20 US disclosed
US-20150232461-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-08-20 US disclosed
US-20150232461-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-08-20 US disclosed
EP-2897953-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2015-07-29 EP disclosed
WO-2014047325-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 WO disclosed
WO-2014047325-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 WO disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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-20150232461-A1 SGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 L3MBTL1 4842/4885TSHR 1149/4885NPC1 4278/4885
US-20170065586-A1 SGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 L3MBTL1 4842/4885TSHR 1149/4885NPC1 4278/4885

“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.