SCHEMBL17558776

SCHEMBL17558776

O=C(CP(=O)(O)O)C1(F)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C19 P33261 1/20 0.35
ENO1 P06733 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 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
SCHEMBL10477632 0.98 TSHR (0.37) TSHRMEN1LMNAHPGDBLM
SCHEMBL17558896 0.83 MEN1 (0.36) TSHRMEN1LMNAHPGDBLM
SCHEMBL19699898 0.80 SMN1; SMN2 (0.33) TSHRCYP2C19
SCHEMBL10477604 0.77 SMN1; SMN2 (0.30)
SCHEMBL10477606 0.77 SMN1; SMN2 (0.40)
SCHEMBL10477639 0.75 TSHR (0.36) TSHRMEN1LMNAHPGDBLM
SCHEMBL23009421 0.75 CYP2C19 (0.34) TSHRLMNABLMCYP2C19
SCHEMBL10477627 0.75
SCHEMBL10477629 0.74 PPARD (0.39) TSHR
SCHEMBL23009529 0.65 ALDH1A1 (0.34) MEN1KMT2A

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
CN-107074859-B Cyclohexylethyl substituted diaza-and triaza-tricyclics as indoleamine-2, 3-dioxygenase (IDO) antagonists for the treatment of cancer 默克专利有限公司 2021-08-06 CN disclosed
EP-3189054-B1 (1-FLUORO-CYCLOHEX-1-YL)-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2019-07-24 EP disclosed
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2017-12-14 US disclosed
US-9771370-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2017-09-26 US disclosed
EP-3189054-A1 CYCLOHEXYL-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2017-07-12 EP disclosed
US-20160075711-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2016-03-17 US disclosed
WO-2016037026-A1 CYCLOHEXYL-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2016-03-10 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 (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-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE IDO1, IDO2, INMT TSHR 2357/4885MEN1 3137/4885LMNA 4830/4885
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase IDO1, IDO2, INMT TSHR 2357/4885MEN1 3137/4885LMNA 4830/4885
US-20160075711-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE IDO1, IDO2, INMT TSHR 2357/4885MEN1 3137/4885LMNA 4830/4885

“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.