SCHEMBL2969574

SCHEMBL2969574

CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2N)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.54
FEN1 P39748 2/20 0.54
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.45
GCK P35557 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44
HTR6 P50406 1/20 0.42

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
SCHEMBL5312801 0.89 LMNA (0.52) ALOX5APFEN1ALDH1A1MEN1KMT2A
SCHEMBL16501314 0.87 ALDH1A1 (0.65) ALOX5APFEN1ALDH1A1L3MBTL1TSHR
SCHEMBL15916140 0.81 EPHX2 (0.55) ALOX5APFEN1ALDH1A1L3MBTL1TSHR
SCHEMBL2975919 0.79 LMNA (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2TRPV4
SCHEMBL26970150 0.76 ALDH1A1 (0.70) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL2061476 0.74 POLB (0.59) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL19019674 0.74 ALDH1A1 (0.51) ALOX5APFEN1ALDH1A1L3MBTL1MEN1
SCHEMBL6034955 0.72 ATM (0.50) L3MBTL1TSHRSMN1; SMN2ATMPOLB
SCHEMBL30137559 0.72 CA1 (0.55) ALOX5APFEN1ALDH1A1L3MBTL1MEN1
SCHEMBL6684584 0.72 CA1 (0.55) ALOX5APFEN1ALDH1A1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 ALOX5AP 755/4885FEN1 1640/4885ALDH1A1 870/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 ALOX5AP 755/4885FEN1 1640/4885ALDH1A1 870/4885

“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.