SCHEMBL22101640

SCHEMBL22101640

CN/C(S)=N/N=C(C(=N/N=C(\S)NC)/c1ccc(C(=O)O)cc1)\c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ DAO P14920 1/20 0.45
▸ NAPRT Q6XQN6 1/20 0.45
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ TRPA1 O75762 1/20 0.41
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA13 Q8N1Q1 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
SCHEMBL22101954 0.90 GAA (0.37) TSHRCES1CYP2C9CA1CA2
SCHEMBL22101995 0.89 LMNA (0.45) CA1CA2CA12CA3CA4
SCHEMBL22101985 0.88 POLB (0.48) TSHRCA1CA2CA12CA3
SCHEMBL22101668 0.87 TSHR (0.39) TSHRSRD5A2TP53CA1CA2
SCHEMBL22101637 0.85 GAA (0.33) CA1CA2CA12CA3CA4
SCHEMBL22101997 0.85 ESR1 (0.41) CES2ALDH1A1MEN1KMT2ALMNA
SCHEMBL22101642 0.84 TSHR (0.41) TSHRCYP2C9CA1CA2CA12
SCHEMBL22101991 0.84 KMT2A (0.37) CYP2C9ALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL22101609 0.84 POLB (0.44) TSHRCES2CES1ALDH1A1GAA
SCHEMBL22101605 0.84 MEN1 (0.36) TSHRCYP2C9TP53ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172977-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2023-06-08 — — US disclosed
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2020-06-18 — — 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 (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-20230172977-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU TSHR 3811/4885DAO 1054/4885NAPRT 3944/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU TSHR 3811/4885DAO 1054/4885NAPRT 3944/4885

“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.

Send feedback