SCHEMBL2331695

SCHEMBL2331695

COc1ccc(F)cc1C(=O)CP(=O)(OC)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
PIN1 Q13526 4/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
LCLAT1 Q6UWP7 1/20 0.40
KMT2A Q03164 2/20 0.40
CTSD P07339 1/20 0.40
PYGL P06737 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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 0.87 PIN1 (0.41) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL2324769 0.85 CES2 (0.49) SMN1; SMN2RAB9ANPC1LMNACLK1
SCHEMBL14105310 0.84 MEN1 (0.55) SMN1; SMN2LMNAGAAKDM4EKMT2A
SCHEMBL2324606 0.82 CES2 (0.49) RAB9AGAA
SCHEMBL2325431 0.81 CTSD (0.56) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL2331699 0.81 RAB9A (0.40) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL2325145 0.81 HTT (0.39) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL2325106 0.80 EPHX2 (0.38) HTT
SCHEMBL30620888 0.80 HMGCR (0.53) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL9720553 0.80 HMGCR (0.53) SMN1; SMN2RAB9ANPC1LMNAPKM

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 SMN1; SMN2 2843/4885RAB9A 3579/4885NPC1 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.