SCHEMBL2331699

SCHEMBL2331699

CCOP(=O)(O)CC(=O)c1cc(F)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
PIN1 Q13526 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
LCLAT1 Q6UWP7 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36

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
SCHEMBL14105628 0.88 PIN1 (0.41) RAB9ASMN1; SMN2NPC1LMNAPKM
SCHEMBL2324778 0.85 CES2 (0.45) MEN1ALDH1A1KMT2AMRGPRX1
SCHEMBL2325440 0.83 NPC1 (0.50) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL2324615 0.82 CES2 (0.45) RAB9AMEN1ALDH1A1KMT2A
SCHEMBL2325155 0.81 TSHR (0.36) RAB9ASMN1; SMN2NPC1LMNAKDM4E
SCHEMBL2331695 0.81 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1LMNAPKM
SCHEMBL2325110 0.81 KCNK3 (0.37) LMNAMEN1ALDH1A1KMT2AMRGPRX1
SCHEMBL1549681 0.80 KMT2A (0.42) RAB9ANPC1MEN1KMT2A
SCHEMBL30620888 0.78 HMGCR (0.53) RAB9ASMN1; SMN2NPC1LMNAPKM
SCHEMBL9720553 0.78 HMGCR (0.53) RAB9ASMN1; SMN2NPC1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 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 (1 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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 RAB9A 3579/4885SMN1; SMN2 2843/4885NPC1 655/4885

“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.