SCHEMBL15560601

SCHEMBL15560601

Cc1ccc(C)c(Cn2c(CO)nc3ccc(C(=O)O)cc32)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.67
▸ TNF P01375 1/20 0.67
▸ NPC1 O15118 1/20 0.52
▸ MAPK1 P28482 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ AGTR1 P30556 5/20 0.44
▸ AGTR2 P50052 5/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PPARG P37231 1/20 0.42

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
SCHEMBL16756333 0.88 TSHR (0.64) TSHRTNFNPC1MAPK1TP53
SCHEMBL16756578 0.85 TNF (0.62) TSHRTNFNPC1MAPK1TP53
SCHEMBL28860552 0.82 AGTR1 (0.50) TSHRTNFTP53AGTR1AGTR2
SCHEMBL15560565 0.82 TSHR (0.72) TSHRTNFNPC1MAPK1TP53
SCHEMBL16756278 0.82 TSHR (0.58) TSHRTNFNPC1MAPK1TP53
SCHEMBL30582653 0.81 TSHR (1.00) TSHRTNFNPC1MAPK1TP53
SCHEMBL16756579 0.81 TSHR (1.00) TSHRTNFNPC1MAPK1TP53
SCHEMBL20266456 0.74 GLP1R (0.51) AGTR1AGTR2PPARG
SCHEMBL6171451 0.74 NPC1 (0.63) TSHRNPC1MEN1KMT2APOLB
SCHEMBL22420480 0.74 TNF (0.59) TSHRTNFNPC1MAPK1TP53

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-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 — — US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 — — US disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 — — EP disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 — — WO 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA TSHR 1696/4885TNF 1/4885NPC1 3216/4885

“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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