SCHEMBL2385301

SCHEMBL2385301

CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)C(=O)C2

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
F2 P00734 2/20 0.66
PRSS1 P07477 2/20 0.66
PRSS2 P07478 2/20 0.66
PRSS3 P35030 2/20 0.66
ALDH1A1 P00352 2/20 0.63
CA1 P00915 10/20 0.60
CA2 P00918 10/20 0.60
CA5A P35218 10/20 0.60
CA5B Q9Y2D0 10/20 0.60
MEN1 O00255 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL15172850 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL1696817 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL2387335 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL4484995 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL5442172 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL1362019 0.85 KMT2A (0.70) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL12705857 0.85 KMT2A (0.70) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL10000728 0.85 KMT2A (0.70) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL5960692 0.85 KMT2A (0.70) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL863312 0.85 KMT2A (0.70) KMT2AF2PRSS1PRSS2PRSS3

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
EP-4281461-A1 METHOD FOR PREPARING AN ENANTIOMERICALLY ENRICHED FORM OF 3-(2-CHLOROTHIAZOL-5-YL)-8-METHYL-7-OXO-6-PHENYL-2,3-DIHYDROTHIAZOLO[3,2-A]PYRIMIDIN-4-IUM-5-OLATE BASF SE (DE) 2023-11-29 EP disclosed
CN-116917291-A Process for preparing enantiomerically enriched forms of 3- (2-chlorothiazol-5-yl) -8-methyl-7-oxo-6-phenyl-2, 3-dihydrothiazolo [3,2-a ] pyrimidin-4-5-ol salts 巴斯夫欧洲公司 2023-10-20 CN disclosed
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 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-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KMT2A 3558/4885F2 3943/4885PRSS1 2760/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KMT2A 3558/4885F2 3943/4885PRSS1 2760/4885

“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.