SCHEMBL29327944

SCHEMBL29327944

CCc1ccc(-c2cc3ccc(NC(=O)c4nc(C#N)ccc4S(C)(=O)=O)cc3cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TLR9 Q9NR96 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MITF O75030 1/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KDR P35968 2/20 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
SCHEMBL29327941 0.97 ATR (0.40) ATRNPC1MAPTALDH1A1TLR9
SCHEMBL29327971 0.86 NPC1 (0.40) ATRNPC1MAPTALDH1A1TLR9
SCHEMBL29327877 0.84 PPARG (0.48) ATRNPC1MAPTALDH1A1TLR9
SCHEMBL29327967 0.83 NPC1 (0.40) ATRNPC1ALDH1A1RAB9AHTT
SCHEMBL29327871 0.81 PPARG (0.48) ATRNPC1ALDH1A1RAB9AHTT
SCHEMBL29327949 0.81 HDAC6 (0.48) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL29327942 0.80 TP53 (0.37) ATRNPC1MAPTALDH1A1TLR9
SCHEMBL29327950 0.79 MAPT (0.50) NPC1MAPTALDH1A1RAB9AHTT
SCHEMBL29327992 0.79 PPARG (0.44) ATRNPC1MAPTALDH1A1TLR9
SCHEMBL29327651 0.79 PPARG (0.51) NPC1MAPTRAB9ASMN1; SMN2NPSR1

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-20240239760-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. 2024-07-18 — — US disclosed
US-20240239760-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. 2024-07-18 — — 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 (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-20240239760-A1 PPARG INVERSE AGONISTS AND USES THEREOF PPARG, PPARA, PPARD ATR 4391/4885NPC1 695/4885MAPT 4591/4885

“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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