SCHEMBL21685458

SCHEMBL21685458

O=C(COCc1ccccc1)Nc1cc(F)cc(Br)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PTPRC P08575 1/20 0.45
PTPN1 P18031 1/20 0.45
CSNK1D P48730 1/20 0.42
NAMPT P43490 1/20 0.41
GRM5 P41594 1/20 0.41
CETP P11597 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL21685584 0.86 GRM5 (0.36) ADORA3ADORA2AADORA1PTPRCPTPN1
SCHEMBL21685481 0.83 TDP1 (0.50) ADORA3ADORA2AADORA1PTPRCPTPN1
SCHEMBL21685397 0.75 ADORA3 (0.44) ADORA3ADORA2AADORA1PTPRCPTPN1
SCHEMBL878311 0.75 NPC1 (0.64) ADORA3ADORA2AADORA1PTPRCPTPN1
SCHEMBL28597048 0.75 NPC1 (0.64) ADORA3ADORA2AADORA1PTPRCPTPN1
SCHEMBL16709304 0.74 ADORA3 (0.47) ADORA3ADORA2AADORA1PTPRCPTPN1
SCHEMBL415057 0.72 NAMPT (0.62) PTPRCPTPN1NAMPTRAB9ANPC1
SCHEMBL418094 0.72 MEN1 (0.60) PTPRCPTPN1NAMPTPOLBRAB9A
SCHEMBL20210585 0.72 PTPRC (0.59) PTPRCPTPN1NAMPTCETPKDM4E
SCHEMBL20218964 0.72 PTPRC (0.59) PTPRCPTPN1NAMPTCETPKDM4E

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 11 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
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 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
CN-112789040-A Transglutaminase 2(TG2) inhibitors 思达利医药公司 2021-05-11 CN disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 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 (4 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 ADORA3 4811/4885ADORA2A 4423/4885ADORA1 4786/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ADORA3 4811/4885ADORA2A 4423/4885ADORA1 4786/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 ADORA3 4811/4885ADORA2A 4423/4885ADORA1 4786/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 ADORA3 4811/4885ADORA2A 4423/4885ADORA1 4786/4885

“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.