SCHEMBL806003

SCHEMBL806003

CCCCNCCS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
RELA Q04206 4/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
S1PR2 O95136 5/20 0.36
S1PR4 O95977 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR5 Q9H228 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
SCHEMBL17138110 0.93 ALDH1A1 (0.59) TSHRALDH1A1CA1CA2CA12
SCHEMBL6979353 0.85 CA1 (0.42) TSHRALDH1A1CA1CA2CA12
SCHEMBL680277 0.84 NLRP3 (0.39) ALDH1A1CA1CA2
SCHEMBL10483769 0.82 TSHR (0.63) TSHRALDH1A1CA1CA2CA12
SCHEMBL17194370 0.82 ALDH1A1 (0.56) TSHRALDH1A1CA1CA2ADH1B
SCHEMBL23734911 0.81 PAOX (0.43) TSHRALDH1A1CA1CA2CA12
SCHEMBL9366515 0.81 TSHR (0.48) TSHRALDH1A1CA1CA2CA12
SCHEMBL13589514 0.79 ATR (0.32) CA2
SCHEMBL1954602 0.79 TSHR (0.52) TSHRALDH1A1CA1CA2CA12
SCHEMBL13121114 0.78 CA12 (0.50) TSHRALDH1A1CA1CA2CA12

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-12024533-B2 Antimicrobial organosilanes TOPIKOS SCIENTIFIC, INC. (US) 2024-07-02 US disclosed
US-20230143708-A1 ANTIMICROBIAL ORGANOSILANES TOPIKOS PHARMACEUTICALS, INC. (US) 2023-05-11 US disclosed
US-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2020-12-17 US disclosed
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2020-10-13 US disclosed
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2019-03-21 US disclosed
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2019-01-22 US disclosed
US-20180111914-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2018-04-26 US disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 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 (7 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-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 TSHR 614/4885ALDH1A1 716/4885CA1 640/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B TSHR 285/4885ALDH1A1 654/4885CA1 599/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 TSHR 614/4885ALDH1A1 716/4885CA1 640/4885
US-12024533-B2 Antimicrobial organosilanes ARG1, ACMSD, AAAS TSHR 4128/4885ALDH1A1 2951/4885CA1 4028/4885
US-20230143708-A1 ANTIMICROBIAL ORGANOSILANES ARG1, ACMSD, AAAS TSHR 4128/4885ALDH1A1 2951/4885CA1 4028/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 TSHR 614/4885ALDH1A1 716/4885CA1 640/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 TSHR 614/4885ALDH1A1 716/4885CA1 640/4885

“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.