SCHEMBL7728941

SCHEMBL7728941

COC(=O)[C@@H](CCc1ccccc1)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BLM P54132 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL7726567 1.00 MEN1 (0.43) MEN1KMT2ACA12CA7CA9
SCHEMBL8142297 1.00 MEN1 (0.43) MEN1KMT2ACA12CA7CA9
SCHEMBL1858577 0.88 SMN1; SMN2 (0.46) SMN1; SMN2BLMPPARGPPARA
SCHEMBL9773201 0.88 SMN1; SMN2 (0.46) SMN1; SMN2BLMPPARGPPARA
SCHEMBL5674353 0.88 SMN1; SMN2 (0.46) SMN1; SMN2BLMPPARGPPARA
SCHEMBL7375987 0.86 BLM (0.41) MEN1KMT2ACA12CA9CA2
SCHEMBL7344531 0.86 BLM (0.41) MEN1KMT2ACA12CA9CA2
SCHEMBL5012826 0.86 BLM (0.41) MEN1KMT2ACA12CA9CA2
SCHEMBL16754029 0.86 MEN1 (0.51) MEN1KMT2ACA12CA7CA9
SCHEMBL2943750 0.86 MEN1 (0.51) MEN1KMT2ACA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206854-B FXIa inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-02-24 CN disclosed
US-20230027295-A1 FXIA INHIBITORS AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD. (CN) 2023-01-26 US disclosed
US-20230027295-A1 FXIA INHIBITORS AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD. (CN) 2023-01-26 US disclosed
CN-114206854-A FXIa inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-03-18 CN disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed
US-5043346-A Amino acid esters, pharmaceuticals containing them, and the use thereof in learning disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US 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-20230027295-A1 FXIA INHIBITORS AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF F11, TFPI, F7 MEN1 408/4885KMT2A 2653/4885CA12 3107/4885

“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.