SCHEMBL6695539

SCHEMBL6695539

CCOC(=O)C=C(OC)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
TSHR P16473 2/20 0.41
CTSS P25774 2/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
F2R P25116 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL6695536 1.00 LMNA (0.44) LMNAGAAKCNK3KCNK9TSHR
SCHEMBL7326089 0.82 TSHR (0.42) LMNAGAAKCNK3KCNK9TSHR
SCHEMBL13183353 0.80 LMNA (0.49) LMNAGAACTSSCTNNB1WNT3A
SCHEMBL1994129 0.76 TSHR (0.67) LMNAGAAKCNK3KCNK9TSHR
SCHEMBL3293086 0.75 MAPT (0.49) LMNAGAATSHRKDM4EKMT2A
SCHEMBL3293089 0.75 MAPT (0.49) LMNAGAATSHRKDM4EKMT2A
SCHEMBL6695543 0.75 NPSR1 (0.49) GAAMAOBKDM4EKMT2AEPHX2
SCHEMBL10399182 0.75 LMNA (0.41) LMNAGAAKCNK3KCNK9TSHR
SCHEMBL10399181 0.75 LMNA (0.41) LMNAGAAKCNK3KCNK9TSHR
SCHEMBL401715 0.74 LMNA (0.49) LMNAGAAKCNK3KCNK9TSHR

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-6833374-B2 Such as 2-(4-chlorophenyl)-4-(3-(trifluoromethyl)phenyl)-1,2-dihydro-3H-pyrazolo(3,4-d)thieno(2,3-b)pyridin-3-one; for immunotherapeutic treatment of transplant rejection, autoimmune diseases, or graft versus host disease WYETH 2004-12-21 US disclosed
US-6734190-B2 REGULATION OF T CELL RESPONSES FOR IMMUNOSUPPRESION WYETH 2004-05-11 US disclosed
US-20040024008-A1 Dihydrodipyrazolopyridinylbenzamide and -sulfonamide inhibitors of B7-1 WYETH 2004-02-05 US disclosed
US-20040024009-A1 Dihydropyrazolo[3,4-d]thieno-[2,3-B]pyridinone inhibitors of B7-1 WYETH 2004-02-05 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-20040024009-A1 Dihydropyrazolo[3,4-d]thieno-[2,3-B]pyridinone inhibitors of B7-1 CD274, PDCD1, PDCD1LG2 LMNA 4829/4885GAA 4221/4885KCNK3 806/4885
US-20040024008-A1 Dihydrodipyrazolopyridinylbenzamide and -sulfonamide inhibitors of B7-1 CD274, PDCD1, VCAM1 LMNA 4861/4885GAA 3043/4885KCNK3 676/4885

“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.