SCHEMBL21045101

SCHEMBL21045101

O=S(=O)(NCCCc1ccc(-c2ccccc2F)cc1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GRIA4 P48058 2/20 0.50
FLT3 P36888 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
TBXAS1 P24557 6/20 0.43
TBXA2R P21731 2/20 0.43
TPSAB1 Q15661 1/20 0.43
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.41

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
SCHEMBL29411527 1.00 ALDH1A1 (0.51) ALDH1A1GRIA4FLT3TDP1TP53
SCHEMBL21100608 0.80 FLT3 (0.36) ALDH1A1GRIA4FLT3GAATBXAS1
SCHEMBL29411585 0.76 EPHX2 (0.70) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL21045242 0.76 EPHX2 (0.70) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL21045147 0.76 GRIA4 (0.48) ALDH1A1GRIA4MEN1CYP3A4MAPT
SCHEMBL29411437 0.76 GRIA4 (0.48) ALDH1A1GRIA4MEN1CYP3A4MAPT
SCHEMBL21045164 0.74 KMT2A (0.52) KMT2A
SCHEMBL29411421 0.74 KMT2A (0.52) KMT2A
SCHEMBL21045494 0.74 NR3C1 (0.57) ALDH1A1GRIA4MAPTSMN1; SMN2
SCHEMBL21045166 0.74 LMNA (0.52) ALDH1A1GRIA4GAAMEN1CYP3A4

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-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
WO-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 US disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 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 (3 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-20220089539-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB ALDH1A1 3048/4885GRIA4 2247/4885FLT3 1618/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB ALDH1A1 3048/4885GRIA4 2247/4885FLT3 1618/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB ALDH1A1 3048/4885GRIA4 2247/4885FLT3 1618/4885

“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.