SCHEMBL1978183

SCHEMBL1978183

OCCCCCCCCCCCCSc1nnnn1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
TSHR P16473 5/20 0.62
LMNA P02545 5/20 0.62
HPGD P15428 4/20 0.62
POLB P06746 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 2/20 0.59
NFKB1 P19838 2/20 0.59
RAB9A P51151 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
TP53 P04637 3/20 0.56
THRB P10828 1/20 0.55
PKM P14618 1/20 0.54

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
SCHEMBL10970208 0.91 ALDH1A1 (0.71) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL10973042 0.88 ALDH1A1 (0.71) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL17761121 0.86 ALDH1A1 (0.68) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL24305911 0.86 ALDH1A1 (0.68) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL7301329 0.85 ALDH1A1 (0.66) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL16526226 0.84 ALDH1A1 (0.70) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL18797457 0.83 POLB (0.68) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL7303919 0.82 ALDH1A1 (0.66) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL10972734 0.82 ALDH1A1 (0.63) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL16116944 0.82 ALDH1A1 (0.72) ALDH1A1TSHRLMNAHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889894-B2 Compounds for use in therapy BANGOR UNIVERSITY (GB) 2014-11-18 US disclosed
US-8728515-B2 Adjuvants for use in vaccination BANGOR UNIVERSITY (GB) 2014-05-20 US disclosed
EP-2620158-A1 Adjuvants for use in vaccination Bangor University (GB) 2013-07-31 EP disclosed
US-20110150981-A1 Compounds for Use in Therapy BANGOR UNIVERSITY (GB) 2011-06-23 US disclosed
US-20110142916-A1 Adjuvants for Use in Vaccination BANGOR UNIVERSITY (GB) 2011-06-16 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-20110142916-A1 Adjuvants for Use in Vaccination NR1H3, NR1H2, INTS6 ALDH1A1 4317/4885TSHR 46/4885LMNA 4409/4885
US-20110150981-A1 Compounds for Use in Therapy CD4, MSR1, TST ALDH1A1 1837/4885TSHR 38/4885LMNA 4575/4885

“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.