SCHEMBL4741502

SCHEMBL4741502

CC(C)(C)OC(=O)[C@@H](O)CCCO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CYP4F2 P78329 4/20 0.34
CYP4A11 Q02928 4/20 0.34
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 1/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
GPR84 Q9NQS5 3/20 0.31
FFAR1 O14842 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
NR1H2 P55055 1/20 0.31
CTSK P43235 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL4741507 1.00 TDP1 (0.42) TDP1KMT2AMEN1GAACYP4F2
SCHEMBL23151999 0.94 TDP1 (0.44) TDP1KMT2AMEN1GAACYP4F2
SCHEMBL27493572 0.92 TDP1 (0.47) TDP1KMT2AMEN1GAACYP4F2
SCHEMBL12216419 0.88 TDP1 (0.36) TDP1KMT2AMEN1GAANOS1
SCHEMBL9242626 0.88 GPR84 (0.42) TDP1KMT2AMEN1GAANOS1
SCHEMBL5949606 0.84 CA2 (0.46) GPR84FFAR1CTSK
SCHEMBL30744785 0.82 MEN1 (0.35) TDP1KMT2AMEN1GAANOS1
SCHEMBL31460393 0.82 GPR84 (0.52) GPR84FFAR1CTSK
SCHEMBL27504700 0.82 TDP1 (0.41) TDP1KMT2AMEN1GAACYP4F2
SCHEMBL2177004 0.82 CPB2 (0.38) KMT2AMEN1GAANOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 US disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 US disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
US-11618731-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 US disclosed
EP-3532057-B1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2022-12-21 EP disclosed
US-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-07-01 US disclosed
EP-3833348-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC (US) 2021-06-16 EP disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 US disclosed
US-10759759-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed
WO-2008098056-A2 HIGH RELAXIVITY CHELATES EPIX PHARMACEUTICALS, INC. (US) 2008-08-14 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 (7 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-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 TDP1 1246/4885KMT2A 787/4885MEN1 3008/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 TDP1 1246/4885KMT2A 787/4885MEN1 3008/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 TDP1 1246/4885KMT2A 787/4885MEN1 3008/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 TDP1 1246/4885KMT2A 787/4885MEN1 3008/4885
US-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS KLKB1, SERPINB1, KLK1 TDP1 1467/4885KMT2A 987/4885MEN1 1044/4885
US-11618731-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 TDP1 1467/4885KMT2A 987/4885MEN1 1044/4885
US-10759759-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 TDP1 1467/4885KMT2A 987/4885MEN1 1044/4885

“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.