SCHEMBL27412079

SCHEMBL27412079

CC(C)(C)Oc1ccc(-c2csc(N3CCOCC3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.64
▸ RAB9A P51151 7/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ MAPK1 P28482 3/20 0.64
▸ LMNA P02545 3/20 0.64
▸ MAPT P10636 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ HTT P42858 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL18674648 0.86 RAB9A (0.74) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL27413117 0.83 AR (0.69) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL18674683 0.82 AR (0.64) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL18674640 0.81 AR (0.74) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL2560440 0.79 RAB9A (1.00) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL18674650 0.79 AR (0.74) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL12601866 0.79 AR (0.94) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL17014765 0.79 AR (1.00) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL17009412 0.78 AR (1.00) ARRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6629014 0.78 AR (1.00) ARRAB9ANPC1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207415-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR DBD THERAPEUTICS, LLC 2024-06-27 — — US disclosed
US-20180071287-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE SIGNAL PHARM LLC (US) 2018-03-15 — — 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 (2 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-20240207415-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR AR, ADRM1, PSMA3 AR 1/4885RAB9A 3327/4885NPC1 3776/4885
US-20180071287-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE CYP11B2, CYP27A1, CYP11B1 AR 1554/4885RAB9A 2666/4885NPC1 167/4885

“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.

Send feedback