Sugi Predict

Sugi Predict / Compounds / SCHEMBL14934282

SCHEMBL14934282

SCHEMBL14934282

Cc1ccc([C@@](C)(O)CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TNKS O95271 2/20 0.41
▸ PARP1 P09874 2/20 0.41
▸ TNKS2 Q9H2K2 2/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MLYCD O95822 1/20 0.38
▸ ACHE P22303 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL12765048 1.00 TSHR (0.50) TSHRNPC1MAPTRAB9ATNKS
SCHEMBL16174369 1.00 TSHR (0.50) TSHRNPC1MAPTRAB9ATNKS
SCHEMBL24032604 0.83 LMNA (0.50) TSHRNPC1MAPTRAB9ATNKS
SCHEMBL31305572 0.82 TSHR (0.46) TSHRNPC1MAPTRAB9ATNKS
SCHEMBL7427753 0.81 ESR2 (0.54) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL19130230 0.81 TSHR (0.50) TSHRNPC1MAPTRAB9ACYP19A1
SCHEMBL11246058 0.81 TSHR (0.50) TSHRNPC1MAPTRAB9ACYP19A1
SCHEMBL15478310 0.79 TSHR (0.48) TSHRNPC1MAPTRAB9ACYP19A1
SCHEMBL5698989 0.79 KIF11 (0.41) TSHRALDH1A1LMNAHTT
SCHEMBL18545312 0.79 APP (0.39) TNKSPARP1TNKS2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 — — US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 — — US disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 — — WO disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — 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 (3 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 TSHR 1172/4885NPC1 830/4885MAPT 2574/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 TSHR 1172/4885NPC1 830/4885MAPT 2574/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 TSHR 3107/4885NPC1 844/4885MAPT 1992/4885

“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.