SCHEMBL3958398

SCHEMBL3958398

CC1(C(=O)O)CSC(c2ccccc2)=N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIN1 Q13526 1/20 0.34
ALDH1A1 P00352 2/20 0.33
AKR1C1 Q04828 1/20 0.33
NTRK1 P04629 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
FABP4 P15090 1/20 0.32
ALOX5 P09917 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRB2 P47870 1/20 0.32
MAPT P10636 2/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
HDAC1 Q13547 1/20 0.31
BACE1 P56817 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL6315318 1.00 THRB (0.34) THRBTDP1PIN1ALDH1A1AKR1C1
SCHEMBL5914861 1.00 THRB (0.34) THRBTDP1PIN1ALDH1A1AKR1C1
SCHEMBL5711331 0.84 MEN1 (0.41) ALDH1A1NTRK1SMN1; SMN2ALOX5MAPT
SCHEMBL1534233 0.81 HTR2B (0.44) THRBTDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6315068 0.81 OPRM1 (0.40) ALDH1A1SMN1; SMN2ALOX5MAPTNPC1
SCHEMBL6401268 0.81 OPRM1 (0.40) ALDH1A1SMN1; SMN2ALOX5MAPTNPC1
SCHEMBL6315750 0.78 HTR2B (0.39) TDP1PIN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL27769543 0.78 ALDH1A1 (0.35) PIN1ALDH1A1SMN1; SMN2ALOX5MAPT
SCHEMBL6988447 0.76 ALOX5 (0.33) TDP1PIN1ALDH1A1NTRK1SMN1; SMN2
SCHEMBL6982545 0.76 ALOX5 (0.33) TDP1PIN1ALDH1A1NTRK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1529037-B1 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF GENZYME CORP (US) 2009-07-15 EP disclosed
US-6894170-B2 Process for the preparation of substituted thiazolines and their intermediates DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-05-17 US disclosed
US-20050101782-A1 Process for the preparation of substituted thiazolines and their intermediates KRICH SYLVIA (AT) 2005-05-12 US disclosed
EP-1529037-A2 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Genzyme Corporation (US) 2005-05-11 EP disclosed
US-6861532-B2 Synthesis of 2-alkylcysteine GENZYME CORPORATION (US) 2005-03-01 US disclosed
US-20030229231-A1 Synthesis of 2-alkylcysteine GENZYME CORPORATION 2003-12-11 US disclosed
WO-2003097622-A2 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF GENZYME CORPORATION (US) 2003-11-27 WO disclosed
US-20030088105-A1 Process for the preparation of substituted thiazolines and their intermediates DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-05-08 US disclosed
EP-1302467-A2 Process for the preparation of substituted thiazoline derivatives and their intermediate DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-04-16 EP 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 (3 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-20030229231-A1 Synthesis of 2-alkylcysteine FTH1, CISD2, CNDP2 THRB 3029/4885TDP1 4381/4885PIN1 991/4885
US-20030088105-A1 Process for the preparation of substituted thiazolines and their intermediates CBR1, RCOR1, MT-CO1 THRB 1563/4885TDP1 1993/4885PIN1 2758/4885
US-20050101782-A1 Process for the preparation of substituted thiazolines and their intermediates CBR1, CBR3, MT-CO1 THRB 1821/4885TDP1 1584/4885PIN1 2518/4885

“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.