SCHEMBL28037053

SCHEMBL28037053

O=S(=O)(c1ccccc1)n1ccc2cc(C(F)(F)F)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.60
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 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
SCHEMBL31319736 0.89 HTR6 (0.63) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL45741 0.89 HTR6 (0.63) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL14631737 0.86 HTR6 (0.53) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL30075056 0.86 HTR6 (0.53) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL1444197 0.84 HTR6 (0.61) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL12097017 0.83 HTR6 (0.55) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL28207047 0.82 HTR6 (0.63) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL426117 0.81 HTR6 (0.68) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL28685370 0.81 HTR6 (0.56) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL18299125 0.78 HTR6 (0.47) HTR6MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034105-A1 Generative AI-Assisted Identification of Novel PI3K-alpha Inhibitors THE FIRST AFFILIATED HOSPITAL OF XI'AN JIAOTONG UNIVERSITY (CN) 2026-02-05 US disclosed
CN-103772262-B A kind of different phthalimide derivatives and application thereof with anti-tumor activity SHAANXI SCIENCE AND ENGINEERING COLLEGE (CN) 2015-10-14 CN 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 (1 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-20260034105-A1 Generative AI-Assisted Identification of Novel PI3K-alpha Inhibitors PIK3R1, PIK3R4, PIK3R2 HTR6 2309/4885MEN1 4252/4885KMT2A 2776/4885

“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.