Sugi Predict

Sugi Predict / Compounds / SCHEMBL2999751

SCHEMBL2999751

SCHEMBL2999751

Cc1cccc2c1N(S(=O)(=O)c1ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c1)CCCO2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 14/20 0.34
▸ PKLR P30613 5/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ USP2 O75604 1/20 0.32

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
SCHEMBL3001616 0.86 NPC1 (0.46) PKMPKLRCYP2C9CYP2C19ALDH1A1
SCHEMBL2994962 0.85 KMT2A (0.42) ALDH1A1LMNATSHRHTTMEN1
SCHEMBL2990841 0.81 TSHR (0.39) PKMPKLRCYP2C9CYP2C19ALDH1A1
SCHEMBL2999492 0.79 VCAM1 (0.52) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL2997309 0.74 KMT2A (0.59) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL2999885 0.73 KMT2A (0.55) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL2989383 0.70 KMT2A (0.42) PKMALDH1A1MEN1KMT2AJAK2
SCHEMBL2988047 0.70 NR1I2 (0.39) PKMCYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL3577406 0.67 LMNA (0.44) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL3001537 0.64 NPC1 (0.50) PKMPKLRALDH1A1LMNAHTT

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-8507536-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-08-13 — — US disclosed
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2013-02-14 — — US disclosed
US-8263588-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2012-09-11 — — US disclosed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 — — 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-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR PKM 4203/4885PKLR 4057/4885CYP2C9 1609/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR PKM 4203/4885PKLR 4057/4885CYP2C9 1609/4885

“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.