SCHEMBL1053085

SCHEMBL1053085

O=C(NCc1ccccc1)NC(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
EPHX1 P07099 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 3/20 0.55
TSHR P16473 1/20 0.54
TP53 P04637 1/20 0.54
EPHX2 P34913 1/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
KMT2A Q03164 1/20 0.51
PPID Q08752 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
MAOB P27338 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL6033584 0.82 TP53 (0.75) ALDH1A1MAPTEPHX1SMN1; SMN2LMNA
SCHEMBL714625 0.82 EPHX1 (0.77) ALDH1A1EPHX1SMN1; SMN2LMNATSHR
SCHEMBL8790625 0.81 MAPT (0.70) ALDH1A1MAPTEPHX1SMN1; SMN2LMNA
SCHEMBL10937805 0.77 MAPT (0.57) ALDH1A1MAPTEPHX1SMN1; SMN2LMNA
SCHEMBL30471275 0.77 RIPK1 (0.61) ALDH1A1MAPTEPHX1SMN1; SMN2TSHR
SCHEMBL4765237 0.77 RIPK1 (0.61) ALDH1A1MAPTEPHX1SMN1; SMN2TSHR
SCHEMBL10910476 0.76 EPHX1 (0.63) EPHX1SMN1; SMN2LMNATP53EPHX2
Trifluoroacetic Acid SCHEMBL2396352 0.76 ALDH1A1 (0.60) ALDH1A1MAPTEPHX1SMN1; SMN2LMNA
SCHEMBL2172486 0.76 MAPT (0.56) ALDH1A1MAPTEPHX1SMN1; SMN2LMNA
SCHEMBL20911008 0.76 RAB9A (0.75) ALDH1A1EPHX1SMN1; SMN2LMNAEPHX2

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
CN-111662275-B Benzenesulfonamide IDH mutant inhibitor, preparation method and application thereof 中国药科大学 2023-08-22 CN disclosed
US-9675596-B2 1,2,4-thiazolidin-3-one derivatives and their use in the treatment of cancer BALTIC BIO AB (SE) 2017-06-13 US disclosed
US-20160128993-A1 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BALTICGRUPPEN BIO AB (SE) 2016-05-12 US disclosed
EP-2451794-B1 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BALTIC BIO AB (SE) 2016-01-27 EP disclosed
US-9162994-B2 1,2,4-thiazoloidin-3-one derivatives and their use in the treatment of cancer BETAGENON AB (SE) 2015-10-20 US disclosed
CN-102596923-B 1,2, 4-thiazolidin-3-one derivatives and their use in the treatment of cancer BALTIC BIO AB 2015-04-29 CN disclosed
US-20120183537-A1 1,2,4-THIAZOLOIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BETAGENON AB 2012-07-19 US disclosed
CN-102596923-A 1,2, 4-thiazolidin-3-one derivatives and their use in the treatment of cancer BETAGENON AB 2012-07-18 CN disclosed
EP-2451794-A2 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BALTIC BIO AB (SE) 2012-05-16 EP disclosed
WO-2011004162-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2011-01-13 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-20160128993-A1 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER HCCS, CCND3, MTNR1A ALDH1A1 239/4885MAPT 4638/4885EPHX1 2825/4885
US-20120183537-A1 1,2,4-THIAZOLOIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER HCCS, CCND3, MTNR1A ALDH1A1 271/4885MAPT 4535/4885EPHX1 2951/4885

“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.