SCHEMBL2998516

SCHEMBL2998516

CCCC(=O)CP(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
FFAR3 O14843 3/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
FDPS P14324 2/20 0.39
ENO1 P06733 1/20 0.39
METAP1 P53582 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
LPAR3 Q9UBY5 3/20 0.37

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
SCHEMBL3005295 0.85 CA1 (0.46) TSHRMEN1LMNAHPGDBLM
SCHEMBL3002275 0.83 KMT2A (0.50) TSHRMEN1KMT2ATDP1CES2
SCHEMBL7741804 0.81 KMT2A (0.54) TSHRMEN1KMT2ATDP1CES2
SCHEMBL10709425 0.81 KMT2A (0.54) TSHRMEN1KMT2ATDP1CES2
SCHEMBL8414887 0.81 KMT2A (0.54) TSHRMEN1KMT2ATDP1CES2
SCHEMBL8584405 0.81 KMT2A (0.54) TSHRMEN1KMT2ATDP1CES2
SCHEMBL8583505 0.81 KMT2A (0.54) TSHRMEN1KMT2ATDP1CES2
SCHEMBL16655824 0.80 HDAC3 (0.42) TSHRCES2CES1FFAR3HDAC3
SCHEMBL15550971 0.78 FDPS (0.35) TSHRMEN1LMNAHPGDBLM
SCHEMBL3074006 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194920-A1 HETEROARYL(HETEROCYCLYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2022-06-23 US disclosed
EP-3941913-A1 HETEROARYL(HETEROCYCLYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA Atrogi AB (SE) 2022-01-26 EP disclosed
WO-2020188299-A1 HETEROARYL(HETEROCYCLYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2020-09-24 WO disclosed
US-20100191019-A1 Organic Compounds GIVAUDAN SA (CH) 2010-07-29 US disclosed
EP-2178399-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-04-28 EP disclosed
WO-2009009916-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-01-22 WO disclosed
US-4959360-A α-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-25 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 (2 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-20100191019-A1 Organic Compounds OR10J3, ALOX5, OR51E2 TSHR 4300/4885MEN1 4723/4885LMNA 2248/4885
US-20220194920-A1 HETEROARYL(HETEROCYCLYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA SLC5A1, GPR119, SLC5A2 TSHR 1551/4885MEN1 33/4885LMNA 1919/4885

“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.