SCHEMBL22666806

SCHEMBL22666806

O=C1C(c2ccc(S)cc2)=C(c2ccccc2)C(c2ccc(C3=C(c4ccc(S(=O)(=O)O)cc4)C(=O)C(c4ccc(S(=O)(=O)O)cc4)=C3c3ccccc3)cc2)=C1c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ POLB P06746 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ PTGS2 P35354 11/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ PTGS1 P23219 6/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ MT-CO2 P00403 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ MC4R P32245 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP14 P50281 1/20 0.38

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
SCHEMBL22666659 0.91 TSHR (0.58) TSHRSMN1; SMN2POLBCYP2D6PTGS2
SCHEMBL20534355 0.91 TSHR (0.58) TSHRSMN1; SMN2POLBCYP2D6PTGS2
SCHEMBL25613492 0.91 TSHR (0.58) TSHRSMN1; SMN2POLBCYP2D6PTGS2
SCHEMBL25613459 0.91 TSHR (0.58) TSHRSMN1; SMN2POLBCYP2D6PTGS2
Benzenethiol SCHEMBL27899498 0.84 TSHR (0.58) TSHRSMN1; SMN2POLBCYP2D6CA12
SCHEMBL26705907 0.83 SMN1; SMN2 (0.48) TSHRSMN1; SMN2POLBCYP2D6PTGS2
SCHEMBL25613451 0.83 SMN1; SMN2 (0.48) TSHRSMN1; SMN2POLBCYP2D6PTGS2
SCHEMBL26673690 0.83 SMN1; SMN2 (0.48) TSHRSMN1; SMN2POLBCYP2D6PTGS2
SCHEMBL25613528 0.83 SMN1; SMN2 (0.48) TSHRSMN1; SMN2POLBCYP2D6PTGS2
SCHEMBL25613491 0.83 SMN1; SMN2 (0.48) TSHRSMN1; SMN2POLBCYP2D6PTGS2

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-11802187-B2 Polyphenylenes, methods, and uses thereof SIMON FRASER UNIVERSITY (CA) 2023-10-31 — — US disclosed
US-20200362129-A1 POLYPHENYLENES, METHODS, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2020-11-19 — — 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-20200362129-A1 POLYPHENYLENES, METHODS, AND USES THEREOF PICALM, PARN, PHOSPHO1 TSHR 4449/4885SMN1; SMN2 3835/4885POLB 2273/4885
US-11802187-B2 Polyphenylenes, methods, and uses thereof PICALM, PARN, PHOSPHO1 TSHR 4449/4885SMN1; SMN2 3835/4885POLB 2273/4885

“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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