SCHEMBL6603938

SCHEMBL6603938

COc1cc(Cl)cc2c1SCC[C@]2(O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ERN1 O75460 1/20 0.33
HPGD P15428 3/20 0.32
MAP3K14 Q99558 1/20 0.32
HSD17B10 Q99714 1/20 0.31
FFAR4 Q5NUL3 2/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1B1 P15121 2/20 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
SCHEMBL6603949 1.00 KDM4E (0.34) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL6611249 0.84 MEN1 (0.32) FFAR4ALDH1A1MEN1KMT2A
SCHEMBL6611239 0.84 MEN1 (0.32) FFAR4ALDH1A1MEN1KMT2A
SCHEMBL6760982 0.82 AKR1B1 (0.34) AKR1B1
SCHEMBL6605511 0.82 AKR1B1 (0.34) AKR1B1
SCHEMBL6607063 0.73 KDM4E (0.33) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL6607055 0.73 KDM4E (0.33) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL6606785 0.71 VHL (0.40) PTGDRPTGDR2MEN1KMT2AAKR1B1
SCHEMBL6761740 0.71 VHL (0.40) PTGDRPTGDR2MEN1KMT2AAKR1B1
SCHEMBL6607060 0.70 HPGD (0.32) KDM4EERN1HPGDPTGDRPTGDR2

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 5 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
EP-1283837-A1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2003-02-19 EP disclosed
WO-2001087879-A1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2001-11-22 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 (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 4090/4885HDAC3 750/4885HDAC1 503/4885

“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.