SCHEMBL6607055

SCHEMBL6607055

COc1cc(Cl)cc2c1S(=O)(=O)CC[C@]2(O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ERN1 O75460 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HPGD P15428 2/20 0.32
MAP3K14 Q99558 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
CXCR2 P25025 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL6607063 1.00 KDM4E (0.33) KDM4EPTGDRPTGDR2ERN1HTR2A
SCHEMBL6608257 0.84 PDE4A (0.33) ALDH1A1HTTMEN1KMT2A
SCHEMBL6608265 0.84 PDE4A (0.33) ALDH1A1HTTMEN1KMT2A
SCHEMBL6603938 0.73 KDM4E (0.34) KDM4EPTGDRPTGDR2ERN1HPGD
SCHEMBL6603949 0.73 KDM4E (0.34) KDM4EPTGDRPTGDR2ERN1HPGD
SCHEMBL6607060 0.69 HPGD (0.32) KDM4EPTGDRPTGDR2ERN1HPGD
SCHEMBL31045847 0.62 TRPV4 (0.41) PTGDRPTGDR2HTR2AHTR2CHTR2B
SCHEMBL31045607 0.62 MAP3K14 (0.41) KDM4EERN1HTR2AHTR2CHTR2B
SCHEMBL6583197 0.60 AKR1B1 (0.45) MAP3K14AKR1B1
SCHEMBL988150 0.60 PTGDR (0.41) PTGDRPTGDR2HPGDALDH1A1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716834-B2 ANTICOAGULANTS. ASTRAZENECA AB (SE) 2004-04-06 US disclosed
EP-1283837-B1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-02-25 EP disclosed
US-20030220317-A1 Thiochromane derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2003-11-27 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 (1 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-20030220317-A1 Thiochromane derivatives and their use as thrombin inhibitors SERPINC1, F2, TFPI KDM4E 4090/4885PTGDR 372/4885PTGDR2 316/4885

“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.