SCHEMBL9977516

SCHEMBL9977516

O=CO[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PREP P48147 3/20 0.53
CYP2C19 P33261 1/20 0.51
ACE2 Q9BYF1 2/20 0.51
CTRB1 P17538 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL2768429 0.84 PREP (0.60) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL2198909 0.83 PREP (0.56) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL2195118 0.83 PREP (0.56) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL2198876 0.83 PREP (0.56) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL14404742 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL18506024 0.82 PREP (0.53) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL8362092 0.82 PREP (0.53) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL5269200 0.81 ACE2 (0.58) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL27616486 0.81 ACE2 (0.58) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL7284521 0.81 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APREPCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (7 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885NPC1 516/4885RAB9A 1694/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885NPC1 516/4885RAB9A 1694/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885NPC1 516/4885RAB9A 1694/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885NPC1 516/4885RAB9A 1694/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885NPC1 516/4885RAB9A 1694/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885NPC1 516/4885RAB9A 1694/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885NPC1 516/4885RAB9A 1694/4885

“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.