SCHEMBL8749372

SCHEMBL8749372

COC(=O)NC1(C(=O)O)CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
TACR1 P25103 1/20 0.39
TACR3 P29371 1/20 0.39
PIN1 Q13526 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL306307 0.86 GHSR (0.43) HDAC9MEN1KMT2AHCAR2
SCHEMBL18614341 0.86 GHSR (0.43) HDAC9MEN1KMT2AHCAR2
SCHEMBL4837190 0.86 GHSR (0.43) HDAC9MEN1KMT2AHCAR2
SCHEMBL18088631 0.82 CTSL (0.44) ALDH1A1LMNA
SCHEMBL7422311 0.82 RAB9A (0.42) MEN1KMT2AALDH1A1LMNATDP1
SCHEMBL18088762 0.79 PIN1 (0.42) HDAC9MEN1KMT2AHCAR2TACR1
SCHEMBL7346475 0.79 KDM1A (0.45) HDAC9
SCHEMBL17605587 0.78 HDAC9 (0.43) HDAC9HCAR2PIN1TDP1
SCHEMBL20338583 0.77 EPHX2 (0.46) KMT2A
SCHEMBL18088630 0.75 CTSS (0.45) ALDH1A1LMNA

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
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 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 (4 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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HDAC9 1272/4885MEN1 4292/4885KMT2A 3803/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 HDAC9 1272/4885MEN1 4292/4885KMT2A 3803/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HDAC9 1272/4885MEN1 4292/4885KMT2A 3803/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HDAC9 1272/4885MEN1 4292/4885KMT2A 3803/4885

“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.