SCHEMBL2921176

SCHEMBL2921176

CCOC(=O)c1cc(C(=O)OCC)n(Cc2ccccc2F)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52
POLB P06746 2/20 0.51
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
P2RY14 Q15391 1/20 0.47
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL17610985 0.93 P2RY14 (0.50) SMN1; SMN2RAB9ANPC1POLBTP53
SCHEMBL17610956 0.93 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1POLBTP53
SCHEMBL29831851 0.89 CYP1A2 (0.54) SMN1; SMN2RAB9ANPC1POLBTP53
SCHEMBL29831320 0.89 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1POLBTP53
SCHEMBL16082690 0.89 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1POLBTP53
SCHEMBL15964665 0.89 CYP1A2 (0.54) SMN1; SMN2RAB9ANPC1POLBTP53
SCHEMBL15075325 0.88 TP53 (0.52) SMN1; SMN2RAB9ANPC1POLBTP53
SCHEMBL15075362 0.88 TP53 (0.48) SMN1; SMN2RAB9ANPC1POLBTP53
SCHEMBL30121985 0.88 TP53 (0.48) SMN1; SMN2RAB9ANPC1POLBTP53
SCHEMBL17611623 0.87 TP53 (0.50) SMN1; SMN2RAB9ANPC1POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406422-B Pyrazole derivatives as sGC stimulators 赛科理音医疗有限公司 2022-02-01 CN disclosed
EP-3194382-B1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2021-09-08 EP disclosed
EP-3194382-B1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2021-09-08 EP disclosed
US-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2021-07-22 US disclosed
US-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2021-07-22 US disclosed
US-10844064-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-11-24 US disclosed
US-10844064-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-11-24 US disclosed
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC 2019-09-19 US disclosed
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC 2019-09-19 US disclosed
US-20190031641-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2019-01-31 US disclosed
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-04-06 US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 US disclosed
EP-1499620-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES Wyeth (US) 2005-01-26 EP disclosed
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 US disclosed
WO-2003093277-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH (US) 2003-11-13 WO disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE INHIBITORS WYETH (US) 2003-11-13 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 (9 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 SMN1; SMN2 1450/4885RAB9A 1712/4885NPC1 800/4885
US-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 SMN1; SMN2 2723/4885RAB9A 2653/4885NPC1 3188/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP SMN1; SMN2 2433/4885RAB9A 2490/4885NPC1 1676/4885
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS PTGIS, GMPS, NOS3 SMN1; SMN2 2559/4885RAB9A 2574/4885NPC1 3273/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM SMN1; SMN2 4284/4885RAB9A 2285/4885NPC1 2769/4885
US-10844064-B2 sGC stimulators GUCY1B1, GUCY1A1, PRKG1 SMN1; SMN2 3173/4885RAB9A 745/4885NPC1 2988/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 SMN1; SMN2 1450/4885RAB9A 1712/4885NPC1 800/4885
US-20190031641-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 SMN1; SMN2 2723/4885RAB9A 2653/4885NPC1 3188/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP SMN1; SMN2 2305/4885RAB9A 2292/4885NPC1 1423/4885

“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.