SCHEMBL101424

SCHEMBL101424

COC(=O)c1sc(I)cc1N(C(=O)C1CCC(C)CC1)C1CCC2(CC1)OCCO2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.34
NR1I2 O75469 2/20 0.31

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
SCHEMBL132763 1.00 C5AR1 (0.34) C5AR1NR1I2
SCHEMBL14670328 0.90 C5AR1 (0.33) C5AR1NR1I2
SCHEMBL102278 0.89 C5AR1 (0.33) C5AR1NR1I2
SCHEMBL132634 0.89 C5AR1 (0.33) C5AR1NR1I2
SCHEMBL14669107 0.89 C5AR1 (0.33) C5AR1NR1I2
SCHEMBL14290668 0.87 CYP2E1 (0.34) NR1I2
SCHEMBL15159766 0.87 C5AR1 (0.35) C5AR1
SCHEMBL173182 0.87 NR1I2 (0.34) C5AR1NR1I2
SCHEMBL14291163 0.87 C5AR1 (0.32) C5AR1
SCHEMBL14669085 0.87 NR1I2 (0.34) C5AR1NR1I2

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507249-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-11-11 EP disclosed
US-20140235703-A1 THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-20140235703-A1 THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-20140235704-A1 THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-20140235705-A1 FORMULATIONS OF THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-20140235705-A1 FORMULATIONS OF THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-20140235704-A1 THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-20140206888-A1 METHODS FOR PREPARATION OF THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-24 US disclosed
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 US disclosed
EP-2736893-A1 THIOPHENE COMPOUNDS Vertex Pharmaceuticals Incorporated (US) 2014-06-04 EP disclosed
US-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals ( Canada) Incorporated (CA) 2012-03-08 US disclosed
US-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals ( Canada) Incorporated (CA) 2012-03-08 US disclosed
US-8003685-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2011-08-23 US disclosed
US-8003685-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2011-08-23 US disclosed
US-8003685-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2011-08-23 US disclosed
WO-2011031669-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-03-17 WO disclosed
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2008-12-04 US disclosed
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2008-12-04 US disclosed
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2008-12-04 US disclosed
WO-2008058393-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2008-05-22 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 (6 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-20140206888-A1 METHODS FOR PREPARATION OF THIOPHENE COMPOUNDS CTRC, MC3R, DCLK3 C5AR1 1224/4885NR1I2 4244/4885
US-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 C5AR1 2860/4885NR1I2 388/4885
US-20140235705-A1 FORMULATIONS OF THIOPHENE COMPOUNDS TPMT, NAT1, TST C5AR1 1827/4885NR1I2 1643/4885
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections TTR, ZC3HAV1, IRF3 C5AR1 2860/4885NR1I2 388/4885
US-20140235703-A1 THIOPHENE COMPOUNDS MAP3K1, MAPK1, PEAK1 C5AR1 2429/4885NR1I2 1415/4885
US-20140235704-A1 THIOPHENE COMPOUNDS NAMPT, NAPRT, SLC29A1 C5AR1 3260/4885NR1I2 1855/4885

“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.