SCHEMBL17298431

SCHEMBL17298431

CC(C)(C)c1cc(OBO)cc(C(C)(C)C)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.61
▸ CA1 P00915 2/20 0.61
▸ ALDH1A1 P00352 6/20 0.56
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ POLB P06746 1/20 0.56
▸ TYR P14679 1/20 0.56
▸ MAPT P10636 3/20 0.50
▸ ALOX15 P16050 3/20 0.50
▸ HPN P05981 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.50
▸ GAA P10253 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HTT P42858 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HSPA5 P11021 1/20 0.41

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
SCHEMBL16259713 0.83 CA2 (0.41) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL5082754 0.78 CA2 (0.71) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL39130 0.76 CA2 (1.00) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL17191780 0.74 GABRA1 (0.46) CA2CA1ALDH1A1POLBTYR
SCHEMBL11794274 0.74 CA2 (0.65) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL11131478 0.74 CA2 (0.65) CA2CA1ALDH1A1SMN1; SMN2POLB
Butylated Hydroxytoluene SCHEMBL19585114 0.73 SMN1; SMN2 (0.90) CA2CA1ALDH1A1SMN1; SMN2POLB
Butylated Hydroxytoluene SCHEMBL28891136 0.73 SMN1; SMN2 (0.90) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL8959175 0.72 CA2 (0.63) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL996403 0.72 CA2 (0.63) CA2CA1ALDH1A1SMN1; SMN2POLB

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-9458104-B2 Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ PHENEX PHARMACEUTICALS AG (DE) 2016-10-04 — — US disclosed
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2015-12-03 — — 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-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA RORA, RORB, RORC CA2 626/4885CA1 700/4885ALDH1A1 1474/4885

“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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