SCHEMBL5553648

SCHEMBL5553648

CCOC(=O)c1sc(CC)nc1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 6/20 0.55
CDC7 O00311 1/20 0.54
DBF4 Q9UBU7 1/20 0.54
NPC1 O15118 2/20 0.52
MAPT P10636 4/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 3/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DHODH Q02127 1/20 0.49

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
SCHEMBL6005512 0.89 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10KDM4ECDC7
SCHEMBL25094937 0.86 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ECDC7
SCHEMBL7610795 0.86 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ECDC7
SCHEMBL11159741 0.86 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ECDC7
SCHEMBL3274867 0.85 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10KDM4ECDC7
SCHEMBL9795347 0.84 TRPM8 (0.56) ALDH1A1HPGDKDM4ECDC7DBF4
SCHEMBL18792211 0.83 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10KDM4ECDC7
SCHEMBL29030799 0.83 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10KDM4ECDC7
SCHEMBL2498385 0.81 NPC1 (0.72) ALDH1A1HPGDHSD17B10KDM4ECDC7
SCHEMBL12034449 0.81 CDC7 (0.69) ALDH1A1HPGDHSD17B10KDM4ECDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS ALKAHEST, INC. 2024-01-25 US disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 US disclosed
WO-2017146128-A1 IMIDAZOLYLAMIDE DERIVATIVE 大日本住友製薬株式会社 2017-08-31 WO disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US disclosed
CN-1257886-C Dehydroamino acids compounds HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
CN-1398252-A dehydroamino acid compounds HOFFMANN LA ROCHE (CH) 2003-02-19 CN disclosed
US-6515124-B2 (Z)-2-((2-bromo-4-(((3-hydroxybenzyl)amino)carbonyl)benzoyl) -amino)pent-2-enoic acid, for example; useful for treating psoriasis HOFFMAN-LA ROCHE INC. 2003-02-04 US disclosed
EP-1261579-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20020161237-A1 Dehydroamino acids HOFFMANN-LA ROCHE INC. 2002-10-31 US disclosed
WO-2001058853-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 WO 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 (6 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-20020161237-A1 Dehydroamino acids HSD3B1, CYP8B1, TH ALDH1A1 1300/4885HPGD 153/4885HSD17B10 213/4885
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 ALDH1A1 2861/4885HPGD 253/4885HSD17B10 2117/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885HPGD 365/4885HSD17B10 2132/4885
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 ALDH1A1 2042/4885HPGD 563/4885HSD17B10 1793/4885
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS CCR3, CCR1, CCR4 ALDH1A1 3361/4885HPGD 3417/4885HSD17B10 2555/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 ALDH1A1 664/4885HPGD 3051/4885HSD17B10 3098/4885

“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.