SCHEMBL21343246

SCHEMBL21343246

CC(C)[C@H]1C[C@@H](c2ncc(I)[nH]2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.34
▸ CYP3A4 P08684 3/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ NR1H2 P55055 3/20 0.32
▸ NR1H3 Q13133 3/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HTRA1 Q92743 1/20 0.31
▸ SPR P35270 1/20 0.30

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
SCHEMBL15586266 0.85 HPGDS (0.36) HPGDSCYP2C9KCNH2HDAC1PARP1
SCHEMBL14848753 0.85 HPGDS (0.36) HPGDSCYP2C9KCNH2HDAC1PARP1
SCHEMBL1914159 0.85 HPGDS (0.36) HPGDSCYP2C9KCNH2HDAC1PARP1
SCHEMBL1914160 0.85 HPGDS (0.36) HPGDSCYP2C9KCNH2HDAC1PARP1
SCHEMBL16577399 0.84 HPGDS (0.35) HPGDSHDAC1PARP1GPR119HSD11B1
SCHEMBL18829284 0.82 HPGDS (0.34) HPGDSHDAC1PARP1GPR119HSD11B1
SCHEMBL19883788 0.82 HPGDS (0.34) HPGDSHDAC1PARP1GPR119HSD11B1
SCHEMBL19557217 0.81 HPGDS (0.33) HPGDSHDAC1NR1H2PARP1GPR119
SCHEMBL6127095 0.81 HPGDS (0.33) HPGDSHDAC1NR1H2PARP1GPR119
SCHEMBL6127093 0.81 HPGDS (0.33) HPGDSHDAC1NR1H2PARP1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 — — US disclosed
US-10807990-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-20 — — US disclosed
US-20190276468-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-09-12 — — 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 (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-20190276468-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HPGDS 1936/4885CYP3A4 2443/4885CYP2C9 3743/4885
US-10807990-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 HPGDS 1936/4885CYP3A4 2443/4885CYP2C9 3743/4885
US-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HPGDS 1936/4885CYP3A4 2443/4885CYP2C9 3743/4885

“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.

Send feedback