SCHEMBL2197321

SCHEMBL2197321

COC(=O)c1ccc(NC(=O)Oc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.70
▸ MEN1 O00255 6/20 0.70
▸ KMT2A Q03164 6/20 0.70
▸ MAPT P10636 5/20 0.70
▸ HPGD P15428 3/20 0.70
▸ THRB P10828 2/20 0.70
▸ GAA P10253 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ HTT P42858 1/20 0.64
▸ KDM4E B2RXH2 3/20 0.63
▸ GLA P06280 1/20 0.63
▸ ATM Q13315 1/20 0.63
▸ GFER P55789 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ RAD51 Q06609 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ LMNA P02545 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ RAB9A P51151 3/20 0.59

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
SCHEMBL11656439 0.87 SMN1; SMN2 (0.66) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL8063648 0.86 ALDH1A1 (0.82) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2813391 0.86 CYP1A2 (0.64) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2811947 0.86 CYP1A2 (0.64) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL8321819 0.85 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL25023477 0.85 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7746891 0.85 MAPT (0.80) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL25203498 0.85 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL19398873 0.84 POLB (0.57) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL30408014 0.83 PLAU (0.64) ALDH1A1MAPTHPGDGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2024-05-16 — — US disclosed
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof AXIAL THERAPEUTICS, INC. (US) 2024-04-09 — — US disclosed
EP-4171547-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Axial Therapeutics, Inc. (US) 2023-05-03 — — EP disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 — — US disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 — — US disclosed
CN-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 — — CN disclosed
WO-2021242923-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2021-12-02 — — WO disclosed
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 — — EP disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 — — US disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 — — EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — US disclosed
WO-2015164308-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 — — WO disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 — — US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 — — EP 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 (6 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-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 ALDH1A1 4063/4885MEN1 4682/4885KMT2A 3172/4885
US-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI ALDH1A1 3635/4885MEN1 641/4885KMT2A 1209/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 ALDH1A1 3478/4885MEN1 475/4885KMT2A 1422/4885
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 ALDH1A1 4063/4885MEN1 4682/4885KMT2A 3172/4885
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof TLR2, TLR3, TLR4 ALDH1A1 4063/4885MEN1 4682/4885KMT2A 3172/4885
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R ALDH1A1 259/4885MEN1 4707/4885KMT2A 1156/4885

“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.

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