SCHEMBL23014264

SCHEMBL23014264

O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAPK14 Q16539 1/20 0.55
ALDH1A1 P00352 4/20 0.54
ALOX12 P18054 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD11B1 P28845 1/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
GSK3B P49841 1/20 0.53
PDPK1 O15530 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MMP1 P03956 1/20 0.50
GAA P10253 1/20 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
SCHEMBL23014290 0.88 TACR1 (0.63) HTTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL23014295 0.86 GPR139 (0.64) HTTL3MBTL1RAB9AALDH1A1MAPT
SCHEMBL3231208 0.86 ALDH1A1 (0.68) PTPN1NPC1RAB9AALDH1A1ALOX12
SCHEMBL23014202 0.86 ALDH1A1 (0.56) PTPN1RAB9AALDH1A1MAPTGSK3B
SCHEMBL22130998 0.84 PTPN1 (0.71) PTPN1NPC1RAB9AALDH1A1SMN1; SMN2
Methane SCHEMBL11380092 0.84 ALDH1A1 (0.66) PTPN1HTTNPC1RAB9AALDH1A1
SCHEMBL23014282 0.83 ALDH1A1 (0.73) NPC1RAB9AALDH1A1ALOX12SMN1; SMN2
SCHEMBL28484131 0.83 ALDH1A1 (0.73) NPC1RAB9AALDH1A1ALOX12SMN1; SMN2
SCHEMBL5124494 0.83 KDM4E (0.62) PTPN1HTTL3MBTL1NPC1RAB9A
SCHEMBL27847045 0.82 PTGS1 (0.78)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US claimed
EP-4019495-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND Cellgentek Co., Ltd (KR) 2022-06-29 EP claimed
WO-2021034087-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND 주식회사 셀젠텍 2021-02-25 WO claimed
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US disclosed
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US disclosed
EP-4019495-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND Cellgentek Co., Ltd (KR) 2022-06-29 EP disclosed
EP-4019495-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND Cellgentek Co., Ltd (KR) 2022-06-29 EP disclosed
CN-111960961-B Synthetic method of alpha-amidoketone compound 河南师范大学 2021-11-09 CN disclosed
CN-111960961-A Synthetic method of alpha-amidoketone compound 河南师范大学 2020-11-20 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-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND KNTC1, MED1, LEF1 PTPN1 4706/4885HTT 4598/4885L3MBTL1 3211/4885

“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.