SCHEMBL248915

SCHEMBL248915

CCOC(=O)c1ccc(C2CCCN(C(=O)O)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
HIF1A Q16665 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD11B1 P28845 1/20 0.49
FDFT1 P37268 1/20 0.49
PROKR1 Q8TCW9 4/20 0.47
MYC P01106 1/20 0.46
CYP19A1 P11511 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL3040729 0.94 FDFT1 (0.53) RAB9AALDH1A1NPC1SMN1; SMN2FDFT1
SCHEMBL15952966 0.88 CA12 (0.50) RAB9AALDH1A1NPC1LMNAHPGD
SCHEMBL3033970 0.85 FDFT1 (0.55) RAB9AALDH1A1NPC1LMNAHPGD
SCHEMBL21138877 0.81 ALDH1A1 (0.57) RAB9AALDH1A1NPC1LMNAHPGD
SCHEMBL31386208 0.81 ALDH1A1 (0.42) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL9509660 0.81 PROKR1 (0.60) RAB9AALDH1A1NPC1LMNAHPGD
SCHEMBL1789154 0.81 ALDH1A1 (0.63) RAB9AALDH1A1NPC1LMNASMN1; SMN2
SCHEMBL31386285 0.79 PDE4B (0.53) ALDH1A1LMNASMN1; SMN2FDFT1CYP19A1
SCHEMBL4003420 0.79 CA12 (0.59) RAB9AALDH1A1NPC1LMNAHPGD
SCHEMBL28904415 0.78 BTK (0.49) RAB9AALDH1A1NPC1LMNAHPGD

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-2401265-B1 DERIVATIVES OF 1-PYRI(MID)IN-2-YL-PYRAZOLE-4-CARBOXYLIC ACID WHICH ARE USEFUL FOR THERAPY OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed
US-8507512-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-08-13 US disclosed
EP-2401265-A2 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2012-01-04 EP disclosed
WO-2010099054-A2 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2010-09-02 WO disclosed
US-20100216764-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2010-08-26 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-20100216764-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A1, GUCY1A2 RAB9A 989/4885ALDH1A1 1356/4885NPC1 2280/4885

“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.