SCHEMBL17346103

SCHEMBL17346103

c1ccc(CSCCNCCP(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
HPGD P15428 4/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 3/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
ASAH1 Q13510 1/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL8624587 0.82 ALDH1A1 (0.56) ALDH1A1HPGDLMNASMN1; SMN2CYP2C19
SCHEMBL19206327 0.82 METAP2 (0.33)
Hydrochloric Acid SCHEMBL19206340 0.81 METAP2 (0.33)
SCHEMBL19206364 0.81 METAP2 (0.33)
SCHEMBL951191 0.80 SIGMAR1 (0.39) KMT2AMAPTMEN1CYP3A4GAA
Hydrochloric Acid SCHEMBL1465772 0.78 SIGMAR1 (0.38) SMN1; SMN2KMT2AMAPTMEN1CYP3A4
SCHEMBL31026596 0.78 SIGMAR1 (0.38) KMT2AMAPTMEN1CYP3A4GAA
SCHEMBL346711 0.78 TDP1 (0.41) SMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL16935201 0.78 SIGMAR1 (0.38) ALDH1A1LMNAMAPTHTTPKM
SCHEMBL16935382 0.78 VEGFA (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370736-B2 Synthesis of fluoro hemiacetals via transition metal-catalyzed fluoro ester and carboxamide hydrogenation TRIAD NATIONAL SECURITY, LLC (US) 2022-06-28 US disclosed
US-11370736-B2 Synthesis of fluoro hemiacetals via transition metal-catalyzed fluoro ester and carboxamide hydrogenation TRIAD NATIONAL SECURITY, LLC (US) 2022-06-28 US disclosed
US-20200308089-A1 SYNTHESIS OF FLUORO HEMIACETALS VIA TRANSITION METAL-CATALYZED FLUORO ESTER AND CARBOXAMIDE HYDROGENATION U.S. DEPARTMENT OF ENERGY 2020-10-01 US disclosed
US-20200308089-A1 SYNTHESIS OF FLUORO HEMIACETALS VIA TRANSITION METAL-CATALYZED FLUORO ESTER AND CARBOXAMIDE HYDROGENATION U.S. DEPARTMENT OF ENERGY 2020-10-01 US disclosed
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis TRIAD NATIONAL SECURITY, LLC (US) 2020-02-04 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
WO-2015191505-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-12-17 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-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS NANS, NCL, NCLN ALDH1A1 862/4885HPGD 973/4885LMNA 3058/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN ALDH1A1 862/4885HPGD 973/4885LMNA 3058/4885
US-20200308089-A1 SYNTHESIS OF FLUORO HEMIACETALS VIA TRANSITION METAL-CATALYZED FLUORO ESTER AND CARBOXAMIDE HYDROGENATION FH, HIRA, HNF4A ALDH1A1 1005/4885HPGD 317/4885LMNA 3497/4885
US-11370736-B2 Synthesis of fluoro hemiacetals via transition metal-catalyzed fluoro ester and carboxamide hydrogenation FH, HIRA, HNF4A ALDH1A1 1005/4885HPGD 317/4885LMNA 3497/4885

“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.