SCHEMBL22188685

SCHEMBL22188685

Cc1ccc(S(=O)(=O)/N=S(/C)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIR O00625 1/20 1.00
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ CYP2C19 P33261 2/20 0.63
▸ AR P10275 5/20 0.56
▸ CA12 O43570 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL30043551 1.00 PIR (1.00) PIRMEN1KMT2ACYP2C19AR
SCHEMBL20588838 1.00 PIR (1.00) PIRMEN1KMT2ACYP2C19AR
SCHEMBL17996453 0.81 KMT2A (1.00) PIRMEN1KMT2ACYP2C19CA12
SCHEMBL17015171 0.81 KMT2A (1.00) PIRMEN1KMT2ACYP2C19CA12
SCHEMBL16317067 0.80 CYP2C19 (1.00) PIRMEN1KMT2ACYP2C19CA12
SCHEMBL17015173 0.80 CYP2C19 (1.00) PIRMEN1KMT2ACYP2C19CA12
SCHEMBL17020444 0.79 CYP2C19 (0.79) PIRMEN1KMT2ACYP2C19LMNA
SCHEMBL16317068 0.79 CYP2C19 (0.79) PIRMEN1KMT2ACYP2C19LMNA
SCHEMBL27688888 0.75 AR (0.65) PIRCYP2C19ARCA12CA9
SCHEMBL22217121 0.75 CYP2C19 (0.77) PIRMEN1KMT2ACYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147405-A1 BICYCLIC HETEROAROMATIC UREA OR CARBAMATE COMPOUNDS FOR USE IN THERAPY EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2021-05-20 — — US disclosed
US-20200223837-A1 BENZOFURAN AMIDES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2020-07-16 — — US disclosed
US-20200216435-A1 BICYCLIC HETEROAROMATIC AMIDE COMPOUNDS FOR USE IN THERAPY EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2020-07-09 — — US disclosed
US-20200216434-A1 BENZOFURAN UREAS OR CARBAMATES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2020-07-09 — — 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 (4 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-20200216435-A1 BICYCLIC HETEROAROMATIC AMIDE COMPOUNDS FOR USE IN THERAPY NR5A1, NR3C2, NR3C1 PIR 4161/4885MEN1 3712/4885KMT2A 2994/4885
US-20200216434-A1 BENZOFURAN UREAS OR CARBAMATES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY NR0B1, NR4A3, NR0B2 PIR 2953/4885MEN1 4089/4885KMT2A 2259/4885
US-20210147405-A1 BICYCLIC HETEROAROMATIC UREA OR CARBAMATE COMPOUNDS FOR USE IN THERAPY HIF1A, HIF1AN, EGLN3 PIR 1762/4885MEN1 4179/4885KMT2A 1193/4885
US-20200223837-A1 BENZOFURAN AMIDES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY SUCNR1, CBR1, CYP2A13 PIR 3784/4885MEN1 4268/4885KMT2A 3141/4885

“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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