SCHEMBL7384751

SCHEMBL7384751

O=C(O)C1(c2ccc(Br)cc2)CCCO1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.43
ITGA4 P13612 5/20 0.43
ITGB7 P26010 5/20 0.43
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 1/20 0.34
AKR1C1 Q04828 1/20 0.33
RXRA P19793 1/20 0.33

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
SCHEMBL4829823 0.84 AKR1C1 (0.48) ITGB1ITGA4ITGB7ALDH1A1LMNA
SCHEMBL7385753 0.83 ITGB1 (0.44) ITGB1ITGA4ITGB7ALDH1A1MAPK1
SCHEMBL7388625 0.83 ITGB1 (0.44) ITGB1ITGA4ITGB7LMNA
SCHEMBL7379375 0.80 ITGB1 (0.46) ITGB1ITGA4ITGB7HPGDAKR1C1
SCHEMBL7378305 0.80 CYP3A4 (0.46) ITGB1ITGA4ITGB7ALDH1A1HPGD
SCHEMBL7388060 0.80 ITGB1 (0.47) ITGB1ITGA4ITGB7ALDH1A1HPGD
SCHEMBL10848298 0.79 AKR1C1 (0.52) ITGB1ITGA4ITGB7ALDH1A1LMNA
SCHEMBL28214223 0.79 CES2 (0.35) ALDH1A1HPGDMAPK1L3MBTL1LMNA
SCHEMBL7386208 0.76 ITGB1 (0.49) ITGB1ITGA4ITGB7SMN1; SMN2POLB
SCHEMBL21873956 0.75 CYP3A4 (0.48) ALDH1A1HPGDMAPK1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694506-B1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
EP-3694506-B1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
US-11319295-B2 Substituted phenyloxetane and phenyltetrahydrofuran compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
EP-3694506-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-08-19 EP disclosed
US-20200239423-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-07-30 US disclosed
WO-2019074748-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO disclosed
WO-2019074748-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO disclosed
US-6420418-B1 INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE MERCK & CO., INC. 2002-07-16 US disclosed
WO-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 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 (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-20200239423-A1 NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, INMT ITGB1 4709/4885ITGA4 4691/4885ITGB7 4712/4885
US-11319295-B2 Substituted phenyloxetane and phenyltetrahydrofuran compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT ITGB1 4737/4885ITGA4 4736/4885ITGB7 4709/4885

“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.