SCHEMBL3229709

SCHEMBL3229709

CC(C)(CCl)NC(=O)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
HDAC1 Q13547 1/20 0.53
ALDH1A1 P00352 3/20 0.50
CASP3 P42574 1/20 0.50
CASP2 P42575 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GSK3B P49841 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 7/20 0.49
NPC1 O15118 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 2/20 0.47
HDAC3 O15379 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL30433221 0.85 TSHR (0.59) TSHRHDAC1ALDH1A1KDM4EMEN1
SCHEMBL3240216 0.84 TSHR (0.58) TSHRHDAC1ALDH1A1KDM4EMEN1
SCHEMBL9010814 0.83 TSHR (0.56) TSHRHDAC1ALDH1A1CASP3CASP2
SCHEMBL4043837 0.81 MEN1 (0.68) TSHRHDAC1ALDH1A1KDM4EMEN1
SCHEMBL9010792 0.75 TSHR (0.55) TSHRHDAC1ALDH1A1KDM4EMEN1
SCHEMBL29528205 0.74 CTSC (0.56) TSHRHDAC1ALDH1A1KDM4EMEN1
SCHEMBL3127881 0.74 HDAC1 (0.62) TSHRHDAC1ALDH1A1KDM4EMEN1
SCHEMBL11985614 0.74 TSHR (0.54) TSHRHDAC1ALDH1A1KDM4EMEN1
SCHEMBL9010904 0.72 TSHR (0.51) TSHRHDAC1ALDH1A1KDM4EMEN1
SCHEMBL28533635 0.72 TSHR (0.51) TSHRHDAC1ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247409-B2 Thieno-[2,3-d]pyrimidine and thieno-pyridazine compounds and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-7745449-B2 Thieno-[2,3-d]pyrimidine and thieno-pyridazine compounds and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
US-20100125074-A1 Thieno-[2,3-d]Pyrimidine and Thieno-Pyridazine Compounds and Methods of Use AMGEN INC. (US) 2010-05-20 US disclosed
EP-2038289-A2 THIENO-[2,3-D]PYRIMIDINE AND THIENO-PYRIDAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-03-25 EP disclosed
US-20080032988-A1 Thieno-[2,3-d]pyrimidine and thieno-pyridazine compounds and methods of use AMGEN INC. (US) 2008-02-07 US disclosed
WO-2007124181-A2 THIENO-[2,3-D]PYRIMIDINE AND THIENO-PYRIDAZINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-11-01 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-20080032988-A1 Thieno-[2,3-d]pyrimidine and thieno-pyridazine compounds and methods of use CDK2, TBXA2R, TBXAS1 TSHR 1134/4885HDAC1 3291/4885ALDH1A1 1576/4885
US-20100125074-A1 Thieno-[2,3-d]Pyrimidine and Thieno-Pyridazine Compounds and Methods of Use CDK2, TBXA2R, TBXAS1 TSHR 1134/4885HDAC1 3291/4885ALDH1A1 1576/4885

“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.