SCHEMBL23014672

SCHEMBL23014672

O=S(=O)(Nc1ccccc1CO)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.49
ACLY P53396 1/20 0.45
BRD4 O60885 4/20 0.44
MRGPRX1 Q96LB2 6/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
PIK3CG P48736 1/20 0.42
EPHX1 P07099 1/20 0.42
CKS1B P61024 1/20 0.40
SKP2 Q13309 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL13469210 0.78 MRGPRX1 (0.50) MRGPRX1KMT2ALMNAPOLBPTGS1
SCHEMBL20837041 0.76 KDM4E (0.53) PGAM1ACLYBRD4MRGPRX1KDM4E
SCHEMBL23014676 0.76 ACLY (0.65) PGAM1ACLYMRGPRX1KDM4EKMT2A
SCHEMBL4963565 0.75 KEAP1 (0.55) KDM4EKMT2APTGS1ALDH1A1
SCHEMBL10878124 0.74 KDM4E (0.50) PGAM1ACLYBRD4MRGPRX1KDM4E
SCHEMBL23014657 0.73 PGAM1 (0.46) PGAM1ACLYBRD4MRGPRX1KDM4E
SCHEMBL23014686 0.72 KDM4E (0.57) ACLYMRGPRX1KDM4EKMT2APOLB
SCHEMBL10650094 0.72 BRD4 (0.52) PGAM1ACLYBRD4PTGS1PTGS2
SCHEMBL1014583 0.71 COMT (0.44) EPHX1KMT2AALDH1A1
SCHEMBL13510398 0.71 EP300 (0.53) PGAM1ACLYBRD4MRGPRX1CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540115-B2 Inhibitors of phospholipid synthesis and methods of use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2026-02-03 US disclosed
US-20220315528-A1 INHIBITORS OF PHOSPHOLIPID SYNTHESIS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-10-06 US disclosed
WO-2021035031-A1 INHIBITORS OF PHOSPHOLIPID SYNTHESIS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-02-25 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-20220315528-A1 INHIBITORS OF PHOSPHOLIPID SYNTHESIS AND METHODS OF USE LCAT, AGPAT2, AGPAT5 PGAM1 144/4885ACLY 879/4885BRD4 761/4885
US-12540115-B2 Inhibitors of phospholipid synthesis and methods of use LCAT, DGAT1, DGAT2 PGAM1 335/4885ACLY 195/4885BRD4 1607/4885

“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.