SCHEMBL6611239

SCHEMBL6611239

O=C(O)[C@@]1(O)CCSc2c(OC(F)F)cc(Cl)cc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HTR1E P28566 1/20 0.32
S1PR3 Q99500 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL6611249 1.00 MEN1 (0.32) MEN1MAPTKMT2AHTTLMNA
SCHEMBL6603938 0.84 KDM4E (0.34) MEN1KMT2AALDH1A1FFAR4
SCHEMBL6603949 0.84 KDM4E (0.34) MEN1KMT2AALDH1A1FFAR4
SCHEMBL6606465 0.81
SCHEMBL6606456 0.81
SCHEMBL6760982 0.79 AKR1B1 (0.34)
SCHEMBL5399566 0.76 MEN1 (0.36) MEN1MAPTKMT2AHTTLMNA
SCHEMBL5399558 0.76 MEN1 (0.36) MEN1MAPTKMT2AHTTLMNA
SCHEMBL6608265 0.75 PDE4A (0.33) MEN1MAPTKMT2AHTTLMNA
SCHEMBL6608257 0.75 PDE4A (0.33) MEN1MAPTKMT2AHTTLMNA

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 MEN1 1720/4885MAPT 4711/4885KMT2A 3280/4885

“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.