SCHEMBL22420480

SCHEMBL22420480

Cc1ccc(C)c(Cn2c(CO)nc3ccc(-c4ccc(N(C)C)nc4)cc32)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALOX5AP P20292 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PPARG P37231 2/20 0.35

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
SCHEMBL16756578 0.79 TNF (0.62) TNFTSHRNPC1MAPTTP53
SCHEMBL15560565 0.77 TSHR (0.72) TNFTSHRNPC1MAPTTP53
SCHEMBL16756579 0.75 TSHR (1.00) TNFTSHRNPC1MAPTTP53
SCHEMBL30582653 0.75 TSHR (1.00) TNFTSHRNPC1MAPTTP53
SCHEMBL15560601 0.74 TSHR (0.67) TNFTSHRNPC1MAPTTP53
SCHEMBL16756333 0.71 TSHR (0.64) TNFTSHRNPC1TP53MAPK1
SCHEMBL25655674 0.70 TNF (0.52) TNFTSHRNPC1MAPTTP53
SCHEMBL25655643 0.67 NPC1 (0.36) TSHRNPC1MAPTRAB9APOLB
SCHEMBL26799668 0.66 TP53 (0.47) TNFTSHRMAPTTP53POLB
SCHEMBL2018088 0.65 TNF (0.53) TNFTSHRNPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311168-B1 NOVEL TNF STRUCTURE FOR USE IN THERAPY UCB Biopharma SRL (BE) 2023-05-10 — — EP disclosed
US-20210088530-A1 NOVEL TNFa STRUCTURE FOR USE IN THERAPY UCB Biopharma SRL (BE) 2021-03-25 — — US disclosed
US-10775385-B2 Treatment of autoimmune and inflammatory disorders with asymmetric TNF alpha trimers UCB Biopharma SRL (BE) 2020-09-15 — — 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-20210088530-A1 NOVEL TNFa STRUCTURE FOR USE IN THERAPY TNFRSF1A, TNFRSF9, CD40 TNF 5/4885TSHR 259/4885NPC1 4061/4885
US-10775385-B2 Treatment of autoimmune and inflammatory disorders with asymmetric TNF alpha trimers TNFRSF1A, TNFRSF9, CD40 TNF 4/4885TSHR 218/4885NPC1 4080/4885

“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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