SCHEMBL13035463

SCHEMBL13035463

CCOC(=O)c1cnn(C2CCCCO2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.45
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
P2RY12 Q9H244 1/20 0.42
ACHE P22303 3/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
CYP19A1 P11511 2/20 0.39
FDFT1 P37268 1/20 0.39
MAPT P10636 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38

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
SCHEMBL20074229 0.83 KMT2A (0.44) RAB9ANPC1KMT2ALMNAMAPT
SCHEMBL24418198 0.82 P2RY12 (0.40) OGACYP2C9CYP2C19RAB9ANPC1
SCHEMBL31352440 0.82 ACHE (0.59) OGACYP2C9CYP2C19RAB9ANPC1
Fluoride SCHEMBL14796503 0.80 ACHE (0.43) ACHEKMT2ALMNACYP4F2CYP4A11
SCHEMBL5139638 0.80 ACHE (0.43) ACHEKMT2ALMNACYP4F2CYP4A11
SCHEMBL29218328 0.79 ACHE (0.43) CYP2C9HPGDACHELMNACYP4F2
SCHEMBL6519027 0.79 ACHE (0.46) ACHELMNAMAPTCYP4F2CYP4A11
SCHEMBL22979376 0.79 ACHE (0.56) OGACYP2C9CYP2C19RAB9ANPC1
SCHEMBL23600914 0.79 MGLL (0.40) LMNACYP4F2CYP4A11KDM5BRXRA
SCHEMBL17437956 0.79 OGA (0.53) OGACYP2C9CYP2C19RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11986471-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
CN-114555556-B Process for preparing CFTR modulators 弗特克斯药品有限公司 2024-03-29 CN disclosed
US-20230060499-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2023-03-02 US disclosed
CN-114555556-A Methods of making CFTR modulators 弗特克斯药品有限公司 2022-05-27 CN disclosed
US-11077101-B1 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-11077101-B1 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
WO-2013144191-A1 SUBSTITUTED 2-AMINO-3-CYANOPYRIDINES AS INHIBITORS OF SODIUM-CALCIUM EXCHANGE AND USE THEREOF FOR CARDIOVASCULAR DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 WO disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 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 (4 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-11986471-B2 Compounds and methods of use XDH, F12, LPXN OGA 3937/4885CYP2C9 40/4885CYP2C19 52/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 OGA 3841/4885CYP2C9 3624/4885CYP2C19 3070/4885
US-11077101-B1 Compounds and methods of use XDH, F12, LPXN OGA 3937/4885CYP2C9 40/4885CYP2C19 52/4885
US-20230060499-A1 COMPOUNDS AND METHODS OF USE XDH, F12, LPXN OGA 3937/4885CYP2C9 40/4885CYP2C19 52/4885

“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.