SCHEMBL12909679

SCHEMBL12909679

CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@H]2CC[C@H](Oc3cc(C(=O)NC4CCN(C)CC4)ccn3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.51
▸ CYP2E1 P05181 1/20 0.44
▸ PRMT5 O14744 3/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ PTK2 Q05397 3/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP12 P39900 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ BTK Q06187 2/20 0.30
▸ SLC6A5 Q9Y345 1/20 0.30
▸ SSTR4 P31391 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ TAF1 P21675 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 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
SCHEMBL12909869 1.00 NR1I2 (0.51) NR1I2CYP2E1PRMT5WNT1GSK3B
SCHEMBL937892 0.94 NR1I2 (0.43) NR1I2CYP2E1PRMT5WNT1GSK3B
SCHEMBL12910152 0.87 NR1I2 (0.52) NR1I2CYP2E1PTK2BTKSLC6A5
SCHEMBL12909868 0.87 NR1I2 (0.54) NR1I2CYP2E1PRMT5
SCHEMBL12909615 0.87 NR1I2 (0.54) NR1I2CYP2E1PRMT5
SCHEMBL12909685 0.87 NR1I2 (0.54) NR1I2CYP2E1PRMT5
SCHEMBL12909613 0.84 NR1I2 (0.49) NR1I2CYP2E1PRMT5BTK
SCHEMBL15015291 0.82 PRMT5 (0.38) PRMT5WNT1GSK3BDYRK1APTK2
SCHEMBL15015266 0.82 PRMT5 (0.38) PRMT5WNT1GSK3BDYRK1APTK2
SCHEMBL939711 0.82 NR1I2 (0.54) NR1I2CYP2E1

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
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 — — US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 — — US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 — — US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 — — US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 — — EP disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 — — US disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 — — 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 (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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885PRMT5 2826/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885PRMT5 2826/4885

“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.

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