SCHEMBL2076900

SCHEMBL2076900

CC(C)[C@@H]1NC(=S)OC1(c1ccccc1)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL2077251 1.00 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2077738 0.80 ATM (0.35) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2513974 0.80 ATM (0.35) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2077742 0.80 ATM (0.35) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9159289 0.68 CHRNB2 (0.31) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL9159278 0.68 CHRNB2 (0.31) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL5198167 0.68 BRD4 (0.34)
SCHEMBL10456620 0.67 MMP2 (0.30)
SCHEMBL5872252 0.66 CYP1A2 (0.36) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5872329 0.66 CYP1A2 (0.36) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
EP-2886530-A1 ORALLY ADMINISTRABLE VIRIDIOFUNGIN DERIVATIVE HAVING ANTI-HCV ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 2015-06-24 EP disclosed
WO-2014027696-A1 ORALLY ADMINISTRABLE VIRIDIOFUNGIN DERIVATIVE HAVING ANTI-HCV ACTIVITY 中外製薬株式会社 (JP) 2014-02-20 WO disclosed
US-8030496-B2 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKI KABUSHIKI KAISHA (JP) 2011-10-04 US disclosed
US-7897783-B2 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-20100152456-A1 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-06-17 US disclosed
US-20100152457-A1 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-06-17 US disclosed
US-20080293950-A1 Production Process of Compound Having Anti-Hcv Action and Intermediate Thereof CHUGAI SEIYAKU KABUSHIKI KAISHA 2008-11-27 US disclosed
EP-1857456-A1 PROCESS FOR PRODUCING COMPOUND WITH ANTI-HCV POTENCY AND INTERMEDIATE FOR USE THEREIN CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-21 EP 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-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY ZC3HAV1, SLC10A1, CYP51A1 ALDH1A1 558/4885CYP1A2 134/4885CYP3A4 127/4885
US-20100152457-A1 Intermediate compound for synthesis of viridiofungin a derivative ZC3HAV1, ZC3HAV1L, MAVS ALDH1A1 1976/4885CYP1A2 190/4885CYP3A4 57/4885
US-20080293950-A1 Production Process of Compound Having Anti-Hcv Action and Intermediate Thereof HCCS, EIF2AK2, MAVS ALDH1A1 813/4885CYP1A2 350/4885CYP3A4 87/4885
US-20100152456-A1 Intermediate compound for synthesis of viridiofungin a derivative ZC3HAV1, ZC3HAV1L, MAVS ALDH1A1 1976/4885CYP1A2 190/4885CYP3A4 57/4885

“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.