Sugi Predict

Sugi Predict / Compounds / SCHEMBL4780540

SCHEMBL4780540

SCHEMBL4780540

C[C@H]1CC[C@H](C(=O)N(c2cc(-c3ccc(-c4cc5ncccn5n4)cc3)sc2C(=O)O)[C@H]2CC[C@H](O)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ SYK P43405 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ RET P07949 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ MAP2K2 P36507 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 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
SCHEMBL4780549 1.00 NR1I2 (0.34) NR1I2APOBEC3AAPOBEC3GSYKAURKA
SCHEMBL14291165 1.00 NR1I2 (0.34) NR1I2APOBEC3AAPOBEC3GSYKAURKA
SCHEMBL4780879 0.92 CYP2E1 (0.35) NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL4780874 0.92 CYP2E1 (0.35) NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL9932418 0.90 NR1I2 (0.32) NR1I2APOBEC3AAPOBEC3G
SCHEMBL4776435 0.89 NR1I2 (0.33) NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL4776428 0.89 NR1I2 (0.33) NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL4838987 0.85 CYP2E1 (0.36) NR1I2APOBEC3AAPOBEC3GSYK
SCHEMBL4148693 0.85 APOBEC3A (0.35) NR1I2APOBEC3AAPOBEC3GSYKAURKA
SCHEMBL4148687 0.85 APOBEC3A (0.35) NR1I2APOBEC3AAPOBEC3GSYKAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 — — WO claimed
EP-2507249-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-11-11 — — EP disclosed
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 — — US disclosed
US-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-14 — — US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 — — US disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 — — US disclosed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 — — 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-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885APOBEC3A 245/4885APOBEC3G 526/4885
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885APOBEC3A 245/4885APOBEC3G 526/4885

“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.