SCHEMBL21750703

SCHEMBL21750703

CC(=O)Nc1ccc(SC(C)(C)CC(C)(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KMT2A Q03164 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ MB P02144 1/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ RARG P13631 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL21775943 0.83 GAA (0.51) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL5962397 0.80 SMN1; SMN2 (0.55) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL9187018 0.75 KIF11 (0.63) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL5026270 0.72 SMN1; SMN2 (0.64) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL3959278 0.72 SMN1; SMN2 (0.64) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL9518238 0.71 GAA (0.71) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL861674 0.71 SMN1; SMN2 (0.84) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL19924413 0.70 SMN1; SMN2 (0.52) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL3074944 0.70 ALDH1A1 (0.70) GAASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL6033907 0.69 GAA (0.69) GAASMN1; SMN2HTTL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2024-05-28 — — US disclosed
US-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-06-03 — — US disclosed
US-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-06-03 — — US disclosed
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-03-16 — — US disclosed
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-03-16 — — US disclosed
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2020-02-27 — — US disclosed
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2020-02-27 — — 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 (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-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT GAA 4658/4885SMN1; SMN2 4480/4885HTT 345/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT GAA 4658/4885SMN1; SMN2 4480/4885HTT 345/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 GAA 4783/4885SMN1; SMN2 4516/4885HTT 506/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT GAA 4658/4885SMN1; SMN2 4480/4885HTT 345/4885

“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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