SCHEMBL3040729

SCHEMBL3040729

CCOC(=O)c1ccc(C2CCN(C(=O)O)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.53
PDE4B Q07343 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 1/20 0.47
CYP19A1 P11511 2/20 0.46
STAT1 P42224 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
NPY2R P49146 1/20 0.46
POLB P06746 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
SCHEMBL248915 0.94 RAB9A (0.50) FDFT1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL3033970 0.92 FDFT1 (0.55) FDFT1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL15952966 0.89 CA12 (0.50) FDFT1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL31386285 0.85 PDE4B (0.53) FDFT1PDE4BTDP1MAPTSMN1; SMN2
SCHEMBL26093038 0.83 FDFT1 (0.46) FDFT1TDP1MAPTRAB9ANPC1
SCHEMBL26092030 0.83 FDFT1 (0.46) FDFT1TDP1MAPTRAB9ANPC1
SCHEMBL17389542 0.81 FDFT1 (0.58) FDFT1TDP1RAB9ACYP19A1
SCHEMBL4003420 0.80 CA12 (0.59) FDFT1TDP1MAPTRAB9ANPC1
SCHEMBL1789154 0.79 ALDH1A1 (0.63) FDFT1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8040438 0.79 NAMPT (0.54) FDFT1MAPTSMN1; SMN2ALDH1A1KMT2A

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 3 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
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 FDFT1 525/4885PDE4B 16/4885TDP1 333/4885

“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.