SCHEMBL12910152

SCHEMBL12910152

CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@H]2CC[C@H](Cc3cc(C(=O)NC4CCN(C)CC4)ccn3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.52
▸ CYP2E1 P05181 1/20 0.45
▸ PTK2 Q05397 7/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ IGF1R P08069 1/20 0.30
▸ BTK Q06187 2/20 0.30
▸ SLC6A5 Q9Y345 1/20 0.30
▸ ACSS2 Q9NR19 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
SCHEMBL12909679 0.87 NR1I2 (0.51) NR1I2CYP2E1PTK2CCNT1CCNA2
SCHEMBL12909869 0.87 NR1I2 (0.51) NR1I2CYP2E1PTK2CCNT1CCNA2
SCHEMBL937892 0.81 NR1I2 (0.43) NR1I2CYP2E1
SCHEMBL134450 0.80 NR1I2 (0.71) NR1I2CYP2E1
SCHEMBL102077 0.80 NR1I2 (0.71) NR1I2CYP2E1
Hydrochloric Acid SCHEMBL141843 0.80 NR1I2 (0.70) NR1I2CYP2E1
Hydrochloric Acid SCHEMBL141842 0.80 NR1I2 (0.70) NR1I2CYP2E1
SCHEMBL12519283 0.77 NR1I2 (0.61) NR1I2CYP2E1
SCHEMBL10207384 0.77 NR1I2 (0.69) NR1I2CYP2E1
SCHEMBL15498324 0.77 NR1I2 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885PTK2 4756/4885

“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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