SCHEMBL21726593

SCHEMBL21726593

O=S(=O)(O)c1cccc(Cc2cccc(S(=O)(=O)O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.44
HTR6 P50406 1/20 0.42
PGR P06401 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
NPC1 O15118 1/20 0.41
TNF P01375 1/20 0.41
RAB9A P51151 1/20 0.41
NOD1 Q9Y239 1/20 0.41
LMNA P02545 1/20 0.38
CASR P41180 2/20 0.38
TGM2 P21980 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL11413912 0.85 TSHR (0.53) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL10586812 0.85 TSHR (0.53) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL11230595 0.83 TSHR (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL698195 0.83 TSHR (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL3922686 0.83 TSHR (0.57) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL24199108 0.83 ALDH1A1 (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL4313800 0.83 TSHR (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL22124430 0.83 ALDH1A1 (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL6546793 0.83 ALDH1A1 (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL6576001 0.83 ALDH1A1 (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562837-B2 Preparation of phenyl compounds NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2020-02-18 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 (1 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-10562837-B2 Preparation of phenyl compounds FDPS, DHPS, DDT TSHR 4645/4885ALDH1A1 860/4885HSD17B10 3508/4885

“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.