SCHEMBL102105

SCHEMBL102105

CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C2CCC(F)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
NR1I2 O75469 2/20 0.39
PTPRF P10586 1/20 0.35
PTPN1 P18031 1/20 0.35
CYP2E1 P05181 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL2878321 0.95 KDM4E (0.42) KDM4EHTTATMNR1I2PTPRF
SCHEMBL17635079 0.95 KDM4E (0.42) KDM4EHTTATMNR1I2PTPRF
SCHEMBL2876807 0.92 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF
Vch-759 Free Acid SCHEMBL2874237 0.92 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF
SCHEMBL2877204 0.92 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF
Vch-759 Free Acid SCHEMBL5029770 0.92 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF
SCHEMBL14030907 0.92 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF
SCHEMBL14030938 0.92 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF
Vch-759 Free Acid SCHEMBL101720 0.92 KDM4E (0.40) KDM4EHTTATMNR1I2PTPRF
SCHEMBL2244516 0.90 CYP2E1 (0.40) KDM4EHTTATMNR1I2PTPRF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658674-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-25 US disclosed
US-8658674-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-25 US disclosed
US-20120301430-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-11-29 US disclosed
US-20120301430-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-11-29 US disclosed
US-8269014-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-09-18 US disclosed
US-8269014-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-09-18 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-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-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2008-12-04 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 (3 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-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 KDM4E 1474/4885HTT 1666/4885ATM 3665/4885
US-20120301430-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 KDM4E 1474/4885HTT 1666/4885ATM 3665/4885
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections TTR, ZC3HAV1, IRF3 KDM4E 1474/4885HTT 1666/4885ATM 3665/4885

“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.