SCHEMBL21905458

SCHEMBL21905458

O=S(=O)(c1cccs1)C1CCC(Cc2cnc[nH]2)CC1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HRAS P01112 1/20 0.41
▸ KRAS P01116 1/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ PGGT1B P53609 1/20 0.41
▸ HRH4 Q9H3N8 5/20 0.37
▸ HTR3A P46098 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
SCHEMBL29171479 0.70 FNTA (0.46) HRASKRASFNTAFNTBPGGT1B
SCHEMBL29171480 0.70 FNTA (0.46) HRASKRASFNTAFNTBPGGT1B
SCHEMBL21877258 0.66 FNTA (0.61) HRASKRASFNTAFNTBPGGT1B
SCHEMBL18041272 0.66 FNTA (0.61) HRASKRASFNTAFNTBPGGT1B
SCHEMBL18041271 0.66 FNTA (0.61) HRASKRASFNTAFNTBPGGT1B
SCHEMBL29171478 0.63 FNTA (0.79) HRASKRASFNTAFNTBPGGT1B
SCHEMBL7131913 0.61 HRH3 (0.49) HRH3HRH4
SCHEMBL6930996 0.61 HRH3 (0.49) HRH3HRH4
SCHEMBL25456036 0.60 TAAR1 (0.57) HRH3POLBKMT2AHRH4
SCHEMBL27395190 0.59 HRH3 (0.81) HRH3ALDH1A1

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-20200138835-A1 FORMULATIONS OF BRINCIDOFOVIR EMERGENT BIODEFENSE OPERATIONS LANSING LLC 2020-05-07 — — 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-20200138835-A1 FORMULATIONS OF BRINCIDOFOVIR SAMHD1, UGT2B7, HPRT1 HRH3 1510/4885MEN1 3368/4885ALDH1A1 3055/4885

“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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