SCHEMBL2843748

SCHEMBL2843748

O=C(c1cc2ccccc2s1)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.62
HDAC6 Q9UBN7 5/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
SLC9A1 P19634 2/20 0.53
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
DYRK1A Q13627 1/20 0.51
HRH4 Q9H3N8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TMIGD3 P0DMS9 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL24198781 0.82 BCL2L1 (0.62) BCL2L1HDAC6HDAC1HDAC3HDAC4
SCHEMBL16599119 0.79 BCL2L1 (0.69) BCL2L1HDAC6HDAC1HDAC3HDAC4
SCHEMBL1639689 0.79 HDAC3 (0.55) BCL2L1HDAC6HDAC1HDAC3HDAC4
SCHEMBL6321234 0.79 BCL2L1 (0.74) BCL2L1HDAC6HDAC1HDAC3HDAC4
SCHEMBL31356465 0.79 BCL2L1 (0.74) BCL2L1HDAC6HDAC1HDAC3HDAC4
SCHEMBL7209477 0.79 BCL2L1 (0.74) BCL2L1HDAC6HDAC1HDAC3HDAC4
SCHEMBL6720496 0.79 HDAC2 (0.55) BCL2L1HDAC6HDAC1HDAC3HDAC4
SCHEMBL28885145 0.78 HDAC1 (0.68) BCL2L1HDAC6HDAC1HDAC3HDAC4
SCHEMBL13736547 0.78 BCL2L1 (0.57) BCL2L1HDAC6HDAC1HDAC3HDAC4
SCHEMBL29438783 0.77 BCL2L1 (1.00) BCL2L1HDAC6HDAC1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
US-20100063013-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-03-11 US disclosed
EP-2139876-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-01-06 EP disclosed
WO-2008116302-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-10-02 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 (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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS BCL2L1 88/4885HDAC6 1839/4885HDAC1 1147/4885
US-20100063013-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTSZ BCL2L1 255/4885HDAC6 1095/4885HDAC1 1086/4885

“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.