SCHEMBL627897

SCHEMBL627897

COC(=O)N1CCOCC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
TSHR P16473 2/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PDK1 Q15118 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL627896 1.00 FKBP1A (0.43) FKBP1ACA12CA1CA2CA9
SCHEMBL15129624 0.82 TSHR (0.42) FKBP1ATSHRRAB9A
SCHEMBL15129623 0.82 TSHR (0.42) FKBP1ATSHRRAB9A
SCHEMBL185522 0.82 SMN1; SMN2 (0.50) FKBP1ACA12CA1CA2CA9
SCHEMBL186174 0.82 SMN1; SMN2 (0.50) FKBP1ACA12CA1CA2CA9
SCHEMBL154453 0.82 SMN1; SMN2 (0.50) FKBP1ACA12CA1CA2CA9
Ammonia Solution, Strong SCHEMBL28111366 0.81 SMN1; SMN2 (0.49) FKBP1ACA12CA1CA2CA9
SCHEMBL17327490 0.80 FKBP1A (0.46) FKBP1ACA12CA1CA2CA9
SCHEMBL5742303 0.80 CA12 (0.46) FKBP1ACA12CA1CA2CA9
SCHEMBL22091994 0.80 CA12 (0.46) FKBP1ACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
CN-102459165-B Antiviral compound ABBVIE (US) 2015-09-02 CN disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FKBP1A 2526/4885CA12 4401/4885CA1 4852/4885

“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.