Sugi Predict

Sugi Predict / Compounds / SCHEMBL17610985

SCHEMBL17610985

SCHEMBL17610985

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ PTGER1 P34995 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MAPT P10636 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
SCHEMBL2921176 0.93 SMN1; SMN2 (0.52) P2RY14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL17610956 0.91 SMN1; SMN2 (0.47) P2RY14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL17611623 0.87 TP53 (0.50) P2RY14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL29831851 0.87 CYP1A2 (0.54) P2RY14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL15964665 0.87 CYP1A2 (0.54) P2RY14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL15075325 0.86 TP53 (0.52) P2RY14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL15075362 0.86 TP53 (0.48) P2RY14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL30121985 0.86 TP53 (0.48) P2RY14TP53SMN1; SMN2NPC1RAB9A
SCHEMBL2921219 0.85 P2RY14 (0.58) P2RY14TP53KMT2AMEN1CYP1A2
SCHEMBL253380 0.85 SLC16A3 (0.51) P2RY14TP53SMN1; SMN2POLBALDH1A1

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 23 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-20180155345-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-06-07 — — US disclosed
US-20170291889-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-12 — — US disclosed
US-20170291889-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-12 — — US disclosed
US-20170291889-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-12 — — US disclosed
EP-3194386-A2 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-07-26 — — EP disclosed
EP-3194382-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-07-26 — — EP disclosed
WO-2016044447-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 — — WO disclosed
WO-2016044446-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 — — WO disclosed
WO-2016044446-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 — — WO disclosed
WO-2016044447-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 — — 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 (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-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 P2RY14 851/4885TP53 4427/4885SMN1; SMN2 2723/4885
US-20170291889-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 P2RY14 851/4885TP53 4427/4885SMN1; SMN2 2723/4885
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS PTGIS, GMPS, NOS3 P2RY14 975/4885TP53 4255/4885SMN1; SMN2 2559/4885
US-10844064-B2 sGC stimulators GUCY1B1, GUCY1A1, PRKG1 P2RY14 737/4885TP53 4716/4885SMN1; SMN2 3173/4885
US-20190031641-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 P2RY14 851/4885TP53 4427/4885SMN1; SMN2 2723/4885
US-20180155345-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 P2RY14 737/4885TP53 4716/4885SMN1; SMN2 3173/4885

“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.